# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T05:01:59+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 140 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
"4131750","13.4033","0.0014","7.6867","0.0004","17.4828","0.0014","90","","92.257","0.009","90","","1799.8","0.3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl4 N4 O8 Pb2 -","- C32 H32 Cl4 N4 O8 Pb2 -","- C64 H64 Cl8 N8 O16 Pb4 -","2","0.5","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.1103","0.0768","","","0.178","0.2071","","","","","","1.049","","","","has coordinates","241918","2020-10-21","18:00:00",""
"4131751","4.3181","0.001","22.051","0.006","25.387","0.006","90","","90","","90","","2417.3","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl6 N2 O5 Pb3 -","- C16 H18 Cl6 N2 O5 Pb3 -","- C64 H72 Cl24 N8 O20 Pb12 -","4","1","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.0451","0.0374","","","0.0962","0.1004","","","","","","0.925","","","","has coordinates","241919","2020-10-21","18:00:00",""
"4131752","9.9474","0.0002","10.9082","0.0002","15.4415","0.0003","90","","90","","90","","1675.53","0.06","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min","Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D.","Journal of the American Chemical Society","2018","140","7","2485","2492","10.1021/jacs.7b10135","","","1.54178","CuKα","","0.0332","0.0328","","","0.1011","0.102","","","","","","0.987","","","","has coordinates","241920","2020-10-21","18:00:00",""
"4131801","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","241949","2020-10-21","18:00:00",""
"4131802","15.4517","0.0007","9.0569","0.0004","20.8129","0.0009","90","","105.163","0.003","90","","2811.2","0.2","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H74 Br6.12 N2 -","- C54 H74 Br6.1204 N2 -","- C108 H148 Br12.2408 N4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0541","0.0328","","","0.0704","0.0778","","","","","","1.02","","","","has coordinates,has disorder","241950","2020-10-21","18:00:00",""
"4131803","10.7485","0.0003","13.164","0.0004","17.4642","0.0006","90","","104.046","0.002","90","","2397.18","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 N2 -","- C54 H74 N2 -","- C108 H148 N4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0762","0.0537","","","0.1256","0.1429","","","","","","1.052","","","","has coordinates,has disorder","241951","2020-10-21","18:00:00",""
"4131804","12.3025","0.0007","16.8211","0.0009","18.2404","0.001","90.61","0.002","100.148","0.002","99.052","0.003","3666.5","0.4","200","","200","","","","","","","","","3","P 1","P 1","1","","","","- C70 H94 N2 -","- C70 H94 N2 -","- C140 H188 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0709","0.0549","","","0.1479","0.1611","","","","","","1.014","","","","has coordinates","241952","2020-10-21","18:00:00",""
"4131805","9.242","0.003","9.965","0.004","15.328","0.006","94.187","0.008","93.093","0.008","95.429","0.008","1398.9","0.9","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0421","0.0395","","","0.1013","0.1035","","","","","","1.05","","","","has coordinates,has disorder","241953","2020-10-21","18:00:00",""
"4131806","15.2342","0.0009","9.4798","0.0007","23.3954","0.0016","90","","106.598","0.002","90","","3237.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 F12 N2 Sb2 -","- C54 H74 F12 N2 Sb2 -","- C108 H148 F24 N4 Sb4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0554","0.0398","","","0.0924","0.0998","","","","","","1.049","","","","has coordinates,has disorder","241954","2020-10-21","18:00:00",""
"4131807","9.1599","0.0018","9.876","0.002","15.304","0.003","95.2","0.03","94.29","0.03","92.92","0.03","1372.6","0.5","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0362","0.0347","","","0.0874","0.0888","","","","","","1.032","","","","has coordinates,has disorder","241955","2020-10-21","18:00:00",""
"4131808","9.8881","0.0004","21.821","0.0007","18.424","0.0006","90","","92.142","0.002","90","","3972.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H76 Cl4 N6 O4 -","- C70 H76 Cl4 N6 O4 -","- C140 H152 Cl8 N12 O8 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0814","0.0546","","","0.1374","0.1506","","","","","","1.042","","","","has coordinates,has disorder","241956","2020-10-21","18:00:00",""
"4131823","33.0793","0.0005","33.0793","0.0005","34.2247","0.0008","90","","90","","120","","32432.7","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C342 H334 Cl16 Co8 N72 O29 -","- C342 H288 Cl13.9998 Co8 N72 O28.9994 -","- C1026 H864 Cl41.9994 Co24 N216 O86.9982 -","3","0.166667","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.159","0.1299","","","0.3901","0.4097","","","","","","1.622","","","","has coordinates,has disorder","241958","2020-10-21","18:00:00",""
"4131824","32.939","0.003","29.973","0.002","40.4","0.003","90","","96.126","0.003","90","","39658","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H170 B0.5 Co4 F2 I7.5 N36 O14 -","- C174 H152 B0.5 Co4 F2 I7.5 N36 O14 -","- C1392 H1216 B4 Co32 F16 I60 N288 O112 -","8","1","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.1656","0.0957","","","0.2535","0.2983","","","","","","1.026","","","","has coordinates,has disorder","241959","2020-10-21","18:00:00",""
"4131826","17.9397","0.0019","10.0271","0.001","13.5393","0.0014","90","","90","","90","","2435.5","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H26 F6 Fe N4 O7 S2 -","- C17 H26 F6 Fe N4 O7 S2 -","- C68 H104 F24 Fe4 N16 O28 S8 -","4","1","","Fan, Ruixi; Serrano-Plana, Joan; Oloo, Williamson N.; Draksharapu, Apparao; Delgado-Pinar, Estefanía; Company, Anna; Martin-Diaconescu, Vlad; Borrell, Margarida; Lloret-Fillol, Julio; García-España, Enrique; Guo, Yisong; Bominaar, Emile L.; Que, Jr, Lawrence; Costas, Miquel; Münck, Eckard","Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>-Oxo Intermediate.","Journal of the American Chemical Society","2018","140","11","3916","3928","10.1021/jacs.7b11400","","","0.71073","MoKα","","0.0264","0.0252","","","0.0614","0.062","","","","","","1.053","","","","has coordinates","241961","2020-10-21","18:00:00",""
"4131827","10.0025","0.0003","12.9467","0.0003","16.8634","0.0003","80.333","0.002","76.467","0.002","84.106","0.002","2088.44","0.09","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H39 F3 N6 O8 S Zn2 -","- C38 H39 F3 N6 O8 S Zn2 -","- C76 H78 F6 N12 O16 S2 Zn4 -","2","1","","White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai","The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.","Journal of the American Chemical Society","2018","140","7","2562","2574","10.1021/jacs.7b11464","","","1.54184","CuKα","","0.038","0.0363","","","0.0959","0.0985","","","","","","1.031","","","","has coordinates","241962","2020-10-21","18:00:00",""
"4131828","9.95848","0.0002","13.0629","0.0002","18.7207","0.0003","97.0851","0.0015","97.0567","0.0015","95.8092","0.0016","2381.61","0.07","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H51 F3 Fe2 N6 O9 S -","- C44 H51 F3 Fe2 N6 O9 S -","- C88 H102 F6 Fe4 N12 O18 S2 -","2","1","","White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai","The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.","Journal of the American Chemical Society","2018","140","7","2562","2574","10.1021/jacs.7b11464","","","1.54184","CuKα","","0.0544","0.0522","","","0.1458","0.1494","","","","","","1.046","","","","has coordinates,has disorder","241963","2020-10-21","18:00:00",""
"4131830","11.4694","0.0006","36.8012","0.0018","11.974","0.0006","90","","106.846","0.002","90","","4837.2","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75.66 Nd O3.33 -","- C63 H75.66 Nd O3.33 -","- C252 H302.64 Nd4 O13.32 -","4","1","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","x-ray","0.71073","MoKα","","0.0525","0.0461","","","0.0829","0.0844","","","","","","1.35","","","","has coordinates,has disorder","241965","2020-10-21","18:00:00",""
"4131831","19.894","0.003","19.894","0.003","19.894","0.003","90","","90","","90","","7873","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H112 K N2 Nd O10 -","- C81 H112 K N2 Nd O10 -","- C324 H448 K4 N8 Nd4 O40 -","4","0.333333","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","","0.71073","MoKα","","0.0434","0.0329","","","0.0669","0.0709","","","","","","1.049","","","","has coordinates","241966","2020-10-21","18:00:00",""
"4131832","18.8699","0.0009","18.8699","0.0009","33.0822","0.0013","90","","90","","90","","11779.7","0.9","120","2","120","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","MFM-133(Hf)","","","- C91 H141 Hf3 N9 O25 -","- C46 H34 Hf3 O16 -","- C184 H136 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","1.54184","CuKα","","0.0841","0.052","","","0.1241","0.1339","","","","","","0.907","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131833","19.5041","0.0013","19.5041","0.0013","32.072","0.003","90","","90","","90","","12200.5","1.6","295","2","295","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 Hf6 O32 -","- C176 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2378","0.1388","","","0.3201","0.3972","","","","","","1.062","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131834","19.4378","0.0011","19.4378","0.0011","32.104","0.002","90","","90","","90","","12129.8","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.165","0.132","","","0.3347","0.3654","","","","","","1.475","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131835","19.3567","0.0016","19.3567","0.0016","32.036","0.004","90","","90","","90","","12003","2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2197","0.1606","","","0.402","0.4427","","","","","","1.432","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131836","19.465","0.002","19.465","0.002","32.371","0.005","90","","90","","90","","12265","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.415","0.2877","","","0.524","0.6662","","","","","","1.244","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131837","19.343","0.0008","19.343","0.0008","32.3072","0.0019","90","","90","","90","","12087.8","1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H56 Hf6 O32 -","- C184 H112 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1321","0.1086","","","0.2772","0.3039","","","","","","1.073","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131838","19.3785","0.001","19.3785","0.001","32.523","0.002","90","","90","","90","","12213.2","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C50 H28 Hf3 O16 -","- C200 H112 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1566","0.1084","","","0.295","0.343","","","","","","1.167","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131839","19.177","0.002","19.177","0.002","32.827","0.005","90","","90","","90","","12072","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3583","0.2051","","","0.4583","0.5498","","","","","","0.964","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131840","19.1867","0.0013","19.1867","0.0013","32.543","0.003","90","","90","","90","","11980","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","0.71073","MoKα","","0.3713","0.18","","","0.3851","0.4902","","","","","","1.079","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131841","19.1631","0.001","19.1631","0.001","32.547","0.002","90","","90","","90","","11952.1","1.1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1699","0.1397","","","0.3629","0.3875","","","","","","1.573","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131842","19.082","0.0012","19.082","0.0012","32.674","0.003","90","","90","","90","","11897.3","1.5","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2067","0.1708","","","0.4262","0.4548","","","","","","1.799","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131843","18.9396","0.0011","18.9396","0.0011","32.817","0.002","90","","90","","90","","11771.7","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2039","0.1637","","","0.4166","0.4608","","","","","","1.906","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131844","19.079","0.003","19.079","0.003","32.905","0.005","90","","90","","90","","11978","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","synchrotron","","0.236","0.145","","","0.331","0.421","","","","","","1.052","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131845","18.932","0.0012","18.932","0.0012","33.138","0.002","90","","90","","90","","11877.3","1.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1961","0.1269","","","0.3382","0.3995","","","","","","1.295","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131846","18.8445","0.0013","18.8445","0.0013","32.896","0.003","90","","90","","90","","11681.9","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2108","0.1723","","","0.422","0.4635","","","","","","1.824","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131847","18.243","0.002","18.243","0.002","33.845","0.006","90","","90","","90","","11264","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.4143","0.2035","","","0.434","0.5424","","","","","","1.339","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131848","19.0173","0.0006","19.0173","0.0006","32.8783","0.0009","90","","90","","90","","11890.7","0.6","120","","120","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","1.54184","CuKα","","0.069","0.0448","","","0.1147","0.1258","","","","","","0.899","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131849","19.4481","0.0019","19.4481","0.0019","32.575","0.006","90","","90","","90","","12321","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3649","0.1801","","","0.374","0.4885","","","","","","0.989","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131850","19.3348","0.0012","19.3348","0.0012","32.768","0.005","90","","90","","90","","12250","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3788","0.2144","","","0.4531","0.5525","","","","","","1.301","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131851","19.188","0.0012","19.188","0.0012","32.964","0.006","90","","90","","90","","12137","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3406","0.178","","","0.3998","0.4999","","","","","","1.293","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131852","19.1326","0.0013","19.1326","0.0013","33.039","0.006","90","","90","","90","","12094","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3791","0.2042","","","0.4157","0.5289","","","","","","1.296","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131853","18.9366","0.0011","18.9366","0.0011","32.864","0.003","90","","90","","90","","11784.9","1.4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.3834","0.145","","","0.3638","0.4959","","","","","","0.937","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131854","19.1146","0.0012","19.1146","0.0012","33.047","0.005","90","","90","","90","","12074","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3472","0.1776","","","0.3963","0.5058","","","","","","1.271","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131855","19.0765","0.0014","19.0765","0.0014","33.061","0.005","90","","90","","90","","12031","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3804","0.191","","","0.4183","0.5421","","","","","","1.3","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131856","19.037","0.0014","19.037","0.0014","33.159","0.005","90","","90","","90","","12017","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3506","0.1662","","","0.382","0.4981","","","","","","1.18","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131857","19.0243","0.0015","19.0243","0.0015","33.174","0.006","90","","90","","90","","12006","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3295","0.1638","","","0.3932","0.4967","","","","","","1.217","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131858","19.041","0.0014","19.041","0.0014","33.134","0.006","90","","90","","90","","12013","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3397","0.1642","","","0.3871","0.4932","","","","","","1.204","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131859","19.0375","0.0016","19.0375","0.0016","33.133","0.006","90","","90","","90","","12008","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2268","0.1198","","","0.34","0.4225","","","","","","1.085","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131860","19.0042","0.0019","19.0042","0.0019","33.152","0.007","90","","90","","90","","11973","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3408","0.1411","","","0.3478","0.4666","","","","","","1.071","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131861","18.779","0.003","18.779","0.003","33.087","0.007","90","","90","","90","","11668","4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.302","0.1109","","","0.2928","0.3934","","","","","","0.9","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131862","18.8806","0.001","18.8806","0.001","33.2413","0.0018","90","","90","","90","","11849.8","1.1","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1607","0.1168","","","0.3625","0.4047","","","","","","1.352","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131863","18.9111","0.0011","18.9111","0.0011","33.1966","0.0017","90","","90","","90","","11872.1","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2495","0.2185","","","0.5607","0.5855","","","","","","2.211","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131864","18.9092","0.0011","18.9092","0.0011","33.2222","0.0018","90","","90","","90","","11878.9","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1488","0.1018","","","0.3283","0.3709","","","","","","1.219","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131865","19.1734","0.0016","19.1734","0.0016","33.032","0.006","90","","90","","90","","12143","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2984","0.1407","","","0.3593","0.4563","","","","","","1.135","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131866","19.28","0.0017","19.28","0.0017","32.89","0.006","90","","90","","90","","12226","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2951","0.1447","","","0.3597","0.4517","","","","","","1.125","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131867","29.854","0.005","10.5623","0.0015","23.234","0.006","90","","129.007","0.008","90","","5693","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 B F10 N -","- C29 H28 B F10 N -","- C232 H224 B8 F80 N8 -","8","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0867","0.0526","","","0.1107","0.1281","","","","","","1.032","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131868","30.8901","0.0008","10.7574","0.0003","23.1166","0.0009","90","","129.511","0.001","90","","5926.4","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 B F10 N -","- C30 H32 B F10 N -","- C240 H256 B8 F80 N8 -","8","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0996","0.0596","","","0.1129","0.1329","","","","","","1.08","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131869","16.6005","0.0008","15.9553","0.0008","22.3028","0.001","90","","108.385","0.002","90","","5605.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 B F15 N -","- C30 H21 B F15 N -","- C240 H168 B8 F120 N8 -","8","2","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.1005","0.0554","","","0.1292","0.1527","","","","","","1.028","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131870","13.1325","0.0004","14.4932","0.0004","16.2201","0.0005","90","","107.206","0.001","90","","2949.04","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C128 H120 B4 F40 N4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0564","0.0441","","","0.0948","0.1002","","","","","","1.07","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131871","9.4038","0.0003","10.8415","0.0003","18.5386","0.0006","96.508","0.001","101.595","0.001","105.266","0.001","1758.27","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 B F10 N -","- C40 H34 B F10 N -","- C80 H68 B2 F20 N2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0836","0.0639","","","0.1293","0.1458","","","","","","1.101","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131872","21.1713","0.0005","9.5824","0.0002","20.2501","0.0003","90","","117.812","0.0001","90","","3633.61","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B F10 N O -","- C42 H36 B F10 N O -","- C168 H144 B4 F40 N4 O4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0914","0.0581","","","0.1004","0.1151","","","","","","1.05","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131873","13.959","0.0003","14.6616","0.0003","17.3506","0.0004","90","","102.255","0.001","90","","3470.08","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B F10 N O -","- C38 H36 B F10 N O -","- C152 H144 B4 F40 N4 O4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0462","0.0374","","","0.0942","0.099","","","","","","1.048","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131874","10.0116","0.0002","10.3869","0.0002","16.58","0.0005","75.778","0.001","79.29","0.001","83.508","0.002","1638.07","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 B F10 N O -","- C37 H36 B F10 N O -","- C74 H72 B2 F20 N2 O2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0651","0.0511","","","0.1079","0.1186","","","","","","1.097","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131875","11.3453","0.0011","12.0116","0.0012","16.1572","0.0017","74.992","0.005","72.799","0.005","85.628","0.005","2031.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 B2 F15 N -","- C43 H42 B2 F15 N -","- C86 H84 B4 F30 N2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0754","0.0517","","","0.1275","0.1382","","","","","","1.046","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131876","34.8679","0.0016","34.8679","0.0016","14.1884","0.0009","90","","90","","90","","17249.8","1.6","150","2","150","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C46 H248 N23 Na9 O254 P4 Se4 W64 -","- C24 N12 Na5 O249.4 P4 Se4 W64 -","- C48 N24 Na10 O498.8 P8 Se8 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.0788","0.0588","","","0.1309","0.1488","","","","","","1.196","","","","has coordinates","241970","2020-10-21","18:00:00",""
"4131877","15.2204","0.0006","37.8175","0.0016","29.2768","0.0013","90","","103.518","0.002","90","","16384.8","1.2","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C26 H168 N13 Na19 O254 P4 Te4 W64 -","- C1.6 N0.9 Na4.2 O264.3 P4 Te4 W64 -","- C3.2 N1.8 Na8.4 O528.6 P8 Te8 W128 -","2","0.5","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1198","0.0979","","","0.2011","0.214","","","","","","1.253","","","","has coordinates","241971","2020-10-21","18:00:00",""
"4131878","34.7924","0.0017","34.7924","0.0017","14.1405","0.0009","90","","90","","90","","17117.2","1.6","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C30 H188 N15 Na17 O254 P8 W64 -","- C19.2 N9.6 O241.2 P8 W64 -","- C38.4 N19.2 O482.4 P16 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1571","0.0855","","","0.181","0.2189","","","","","","1.12","","","","has coordinates","241972","2020-10-21","18:00:00",""
"4131879","57.258","0.003","15.0627","0.0008","77.278","0.004","90","","91.453","0.006","90","","66628","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H276 As4 N19 Na17 O284 P4 W64 -","- C6.7 As4 N3.35 Na8.55 O276.85 P4 W64 -","- C53.6 As32 N26.8 Na68.4 O2214.8 P32 W512 -","8","1","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1195","0.0693","","","0.1527","0.1804","","","","","","1.029","","","","has coordinates","241973","2020-10-21","18:00:00",""
"4131880","18.981","0.005","25.97","0.007","21.424","0.006","90","","110.983","0.004","90","","9860","5","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C260 H378 Cl12 N56 O71.5 S14 -","- C260 H378 Cl12 N56 O71.5 S14 -","- C260 H378 Cl12 N56 O71.5 S14 -","1","0.5","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","0.44281","synchrotron","","0.1665","0.1308","","","0.3394","0.3905","","","","","","1.029","","","","has coordinates,has disorder","241974","2020-10-21","18:00:00",""
"4131881","17.0979","0.0005","17.0979","0.0005","28.8128","0.0011","90","","90","","90","","8423.1","0.5","100","2","99.99","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C123 H166 Cl7 N33 O30 S7 -","- C123 H166 Cl7 N33 O30 S7 -","- C246 H332 Cl14 N66 O60 S14 -","2","0.25","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","1.54178","CuKα","","0.1558","0.1106","","","0.3013","0.3544","","","","","","1.094","","","","has coordinates,has disorder","241975","2020-10-21","18:00:00",""
"4131883","31.446","0.006","31.446","0.006","49.095","0.009","90","","90","","120","","42043","14","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C252 H246 Ag26 P6 Pt S18 -","- C252 H246 Ag26 P6 Pt S18 -","- C1512 H1476 Ag156 P36 Pt6 S108 -","6","0.166667","","He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun","Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.","Journal of the American Chemical Society","2018","140","10","3487","3490","10.1021/jacs.7b12083","","","0.71073","MoKα","","0.0626","0.0521","","","0.1195","0.1262","","","","","","1.107","","","","has coordinates","241977","2020-10-21","18:00:00",""
"4131884","6.1913","0.0008","8.7775","0.001","17.654","0.002","90","","96.821","0.006","90","","952.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L.","A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes.","Journal of the American Chemical Society","2018","140","6","2007","2011","10.1021/jacs.7b12271","","","1.54178","CuKα","","0.0359","0.035","","","0.0943","0.0952","","","","","","1.06","","","","has coordinates,has disorder","241978","2020-10-21","18:00:00",""
"4131885","10.9587","0.0004","19.3545","0.0007","19.5983","0.0009","90","","96.063","0.002","90","","4133.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 B6 O12 -","- C36 H60 B6 O12 -","- C144 H240 B24 O48 -","4","1","","Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P.","Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope.","Journal of the American Chemical Society","2018","140","10","3663","3673","10.1021/jacs.7b12316","","","1.54178","CuKα","","0.1049","0.0667","","","0.1701","0.1951","","","","","","1.026","","","","has coordinates,has disorder","241979","2020-10-21","18:00:00",""
"4131886","6.4976","0.0003","14.353","0.0007","24.8911","0.0012","90","","90","","90","","2321.35","0.19","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0533","0.0369","","","0.0767","0.0812","","","","","","1.022","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131887","6.5333","0.0002","14.3788","0.0004","24.7773","0.0012","90","","90","","90","","2327.6","0.15","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0445","0.0331","","","0.0714","0.0754","","","","","","1.055","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131888","8.7329","0.0002","9.2722","0.0002","11.9521","0.0003","87.876","0.002","81.512","0.002","82.835","0.002","949.55","0.04","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Au F3 N -","- C24 H15 Au F3 N -","- C48 H30 Au2 F6 N2 -","2","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0212","0.0195","","","0.0448","0.0452","","","","","","1.064","","","","has coordinates","241980","2020-10-21","18:00:00",""
"4131889","8.7264","0.0006","9.3243","0.0006","11.9764","0.0009","87.967","0.002","81.741","0.002","82.7141","0.0019","956.45","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Au F3 N -","- C24 H15 Au F3 N -","- C48 H30 Au2 F6 N2 -","2","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71075","MoKα","","0.0784","0.0746","","","0.1792","0.1899","","","","","","1.072","","","","has coordinates","241980","2020-10-21","18:00:00",""
"4131890","10.9543","0.0002","23.5971","0.0006","20.4838","0.0006","90","","95.962","0.002","90","","5266.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H142 N8 Ni2 O12 -","- C88 H142 N8 Ni2 O12 -","- C176 H284 N16 Ni4 O24 -","2","1","","Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides.","Journal of the American Chemical Society","2018","140","9","3299","3305","10.1021/jacs.7b12486","","x-ray","1.54184","CuKα","","0.0951","0.0699","","","0.1958","0.2174","","","","","","1.061","","","","has coordinates","241981","2020-10-21","18:00:00",""
"4131891","12.783","0.012","9.491","0.009","17.67","0.017","90","","90","","90","","2144","4","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br6 Cd N2 -","- C8 H12 Br6 Cd N2 -","- C32 H48 Br24 Cd4 N8 -","4","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.3372","0.2697","","","0.5764","0.6013","","","","","","1.944","","","","has coordinates","241982","2020-10-21","18:00:00",""
"4131892","9.59","0.0004","9.59","0.0004","7.0146","0.0005","90","","90","","120","","558.69","0.05","373","2","373","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br3 Cd Cl N -","- C3.9984 H10.9956 Br3 Cd Cl0.9996 N0.9996 -","- C7.9968 H21.9912 Br6 Cd2 Cl1.9992 N1.9992 -","2","0.0833333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0735","0.0644","","","0.1936","0.2059","","","","","","1.204","","","","has coordinates,has disorder","241983","2020-10-21","18:00:00",""
"4131893","9.514","0.0004","9.514","0.0004","7.0191","0.0005","90","","90","","120","","550.22","0.05","273","2","273","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C4 H11 Br3 Cd Cl N -","- C4.00002 Br3 Cd Cl0.99999 N -","- C8.00004 Br6 Cd2 Cl1.99998 N2 -","2","0.166667","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0802","0.0697","","","0.1937","0.2043","","","","","","1.06","","","","has coordinates","241984","2020-10-21","18:00:00",""
"4131894","9.402","0.002","9.402","0.002","6.977","0.007","90","","90","","120","","534.1","0.6","93","2","93","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C4 H11 Br3 Cd Cl N -","- C4.00002 Br3 Cd Cl0.99996 N -","- C8.00004 Br6 Cd2 Cl1.99992 N2 -","2","0.166667","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0625","0.0563","","","0.1479","0.1527","","","","","","1.111","","","","has coordinates","241985","2020-10-21","18:00:00",""
"4131895","9.539","0.007","17.604","0.014","12.628","0.01","90","","92.695","0.015","90","","2118","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Br12 Cd2 N4 -","- C16 H44 Br12 Cd2 N4 -","- C32 H88 Br24 Cd4 N8 -","2","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.2183","0.1618","","","0.4097","0.4441","","","","","","1.404","","","","has coordinates","241986","2020-10-21","18:00:00",""
"4131896","7.3514","0.0002","8.0601","0.0002","21.3723","0.0005","90","","94.7647","0.0013","90","","1262","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H9 N2 S2 -","- C17 H9 N2 S2 -","- C68 H36 N8 S8 -","4","2","","Beldjoudi, Yassine; Nascimento, Mitchell A.; Cho, Yong Joo; Yu, Hyeonghwa; Aziz, Hany; Tonouchi, Daiki; Eguchi, Keitaro; Matsushita, Michio M.; Awaga, Kunio; Osorio-Roman, Igor; Constantinides, Christos P.; Rawson, Jeremy M.","Multifunctional Dithiadiazolyl Radicals: Fluorescence, Electroluminescence, and Photoconducting Behavior in Pyren-1'-yl-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","20","6260","6270","10.1021/jacs.7b12592","","","1.54178","CuKα","","0.0429","0.0385","","","0.1041","0.1068","","","","","","1.074","","","","has coordinates","241987","2020-10-21","18:00:00",""
"4131897","7.3589","0.0002","19.2305","0.0003","19.2279","0.0004","90","","93.221","0.002","90","","2716.74","0.1","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu F3 N5 O6 S -","- C25 H28 Cu F3 N5 O6 S -","- C100 H112 Cu4 F12 N20 O24 S4 -","4","1","","Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.","The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.","Journal of the American Chemical Society","2018","140","8","2933","2939","10.1021/jacs.7b12624","","","1.34143","GaKα","","0.0577","0.047","","0.109","0.0976","0.109","","","","","","1.0087","","","","has coordinates","241988","2020-10-21","18:00:00",""
"4131898","26.0869","0.0015","14.8694","0.0009","8.1356","0.0005","90","","108.012","0.003","90","","3001.1","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Cu2 N5 O8 -","- C29 H29 Cu2 N5 O8 -","- C116 H116 Cu8 N20 O32 -","4","0.5","","Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.","The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.","Journal of the American Chemical Society","2018","140","8","2933","2939","10.1021/jacs.7b12624","","","1.54178","CuKα","","0.052","0.0495","","0.1261","0.125","0.1258","","","","","","1.0222","","","","has coordinates,has disorder","241989","2020-10-21","18:00:00",""
"4131899","12.1758","0.0003","10.373","0.0003","14.1803","0.0004","90","","112.952","0.001","90","","1649.18","0.08","198","2","198.26","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","2","","Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu","Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone.","Journal of the American Chemical Society","2018","140","9","3177","3180","10.1021/jacs.7b12628","","","1.54178","CuKα","","0.0779","0.0689","","","0.1795","0.1908","","","","","","1.048","","","","has coordinates","241990","2020-10-21","18:00:00",""
"4131900","25.7797","0.0005","34.9694","0.0006","12.4506","0.0002","90","","101.77","0.007","90","","10988.2","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C188 H142 Eu4 F36 N12 O35 -","- C188 H142 Eu4 F36 N12 O35 -","- C376 H284 Eu8 F72 N24 O70 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0211","0.0205","","","0.0512","0.0514","","","","","","1.025","","","","has coordinates","241992","2020-10-21","18:00:00",""
"4131901","33.7188","0.0006","32.0387","0.0006","22.5439","0.0004","90","","102.13","0.007","90","","23810.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0267","0.024","","","0.0485","0.0491","","","","","","0.984","","","","has coordinates,has disorder","241993","2020-10-21","18:00:00",""
"4131902","25.759","0.0005","35.1455","0.0006","12.463","0.0002","90","","102.001","0.007","90","","11036.3","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 F36 N12 O34 Sm4 -","- C184 H132 F36 N12 O34 Sm4 -","- C368 H264 F72 N24 O68 Sm8 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0268","0.0252","","","0.0534","0.0538","","","","","","1.023","","","","has coordinates","241994","2020-10-21","18:00:00",""
"4131903","25.7603","0.0005","35.035","0.0006","12.4435","0.0002","90","","101.626","0.007","90","","11000","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 Eu4 F36 N12 O34 -","- C184 H132 Eu4 F36 N12 O34 -","- C368 H264 Eu8 F72 N24 O68 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0228","0.0221","","","0.0498","0.05","","","","","","1.033","","","","has coordinates","241995","2020-10-21","18:00:00",""
"4131904","33.9451","0.0006","31.7821","0.0006","22.4739","0.0004","90","","102.275","0.007","90","","23691.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.046","0.0387","","","0.0792","0.0813","","","","","","0.978","","","","has coordinates,has disorder","241996","2020-10-21","18:00:00",""
"4131905","33.7309","0.0006","32.1542","0.0006","22.2394","0.0004","90","","101.685","0.007","90","","23620.8","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C187 H112 F36 N12 O44 Y4 -","- C187 H112 F36 N12 O44 Y4 -","- C748 H448 F144 N48 O176 Y16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0705","0.0512","","","0.1136","0.1197","","","","","","0.972","","","","has coordinates,has disorder","241997","2020-10-21","18:00:00",""
"4131906","17.3755","0.0007","19.9053","0.0007","22.8678","0.0009","64.5031","0.0012","88.255","0.0014","75.2468","0.0012","6875.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C250.03 H329.15 Cl16.96 N32 O38.38 Tb2 -","- C250.028 H329.156 Cl16.956 N32 O38.376 Tb2 -","- C250.028 H329.156 Cl16.956 N32 O38.376 Tb2 -","1","0.5","","Morita, Takaumi; Damjanović, Marko; Katoh, Keiichi; Kitagawa, Yasutaka; Yasuda, Nobuhiro; Lan, Yanhua; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Enders, Markus; Yamashita, Masahiro","Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement.","Journal of the American Chemical Society","2018","140","8","2995","3007","10.1021/jacs.7b12667","","","0.78132","Synchrotron","","0.157","0.1202","","","0.2924","0.3215","","","","","","1.03","","","","has coordinates,has disorder","241998","2020-10-21","18:00:00",""
"4131907","10.0679","0.0004","12.6568","0.0004","15.6766","0.0005","98.834","0.003","106.858","0.003","104.372","0.003","1796.31","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.52 H35.81 Cl Fe N4 O7.38 -","- C38.524 H35.81 Cl Fe N4 O7.381 -","- C77.048 H71.62 Cl2 Fe2 N8 O14.762 -","2","1","","Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex.","Journal of the American Chemical Society","2018","140","12","4191","4194","10.1021/jacs.7b12707","","","1.54178","CuKα","","0.0555","0.0504","","","0.141","0.1461","","","","","","1.026","","","","has coordinates,has disorder","241999","2020-10-21","18:00:00",""
"4131908","10.112","0.0003","22.0629","0.0006","16.4935","0.0004","90","","104.954","0.003","90","","3555.08","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.38 H35.62 Cl Fe N5.38 O5.62 -","- C39.382 H35.618 Cl Fe N5.382 O5.618 -","- C157.528 H142.472 Cl4 Fe4 N21.528 O22.472 -","4","1","","Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex.","Journal of the American Chemical Society","2018","140","12","4191","4194","10.1021/jacs.7b12707","","","0.71073","MoKα","","0.0436","0.0361","","","0.0884","0.0927","","","","","","1.036","","","","has coordinates,has disorder","242000","2020-10-21","18:00:00",""
"4131909","15.6805","0.0011","10.4626","0.0007","21.9659","0.0015","90","","101.322","0.002","90","","3533.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 B F2 N3 O4 -","- C39 H46 B F2 N3 O4 -","- C156 H184 B4 F8 N12 O16 -","4","1","","Collot, Mayeul; Fam, Tkhe Kyong; Ashokkumar, Pichandi; Faklaris, Orestis; Galli, Thierry; Danglot, Lydia; Klymchenko, Andrey S.","Ultrabright and Fluorogenic Probes for Multicolor Imaging and Tracking of Lipid Droplets in Cells and Tissues.","Journal of the American Chemical Society","2018","140","16","5401","5411","10.1021/jacs.7b12817","","","0.71073","MoKα","","0.1126","0.072","","","0.1877","0.2158","","","","","","1.038","","","","has coordinates","242001","2020-10-21","18:00:00",""
"4131910","20.747","0.004","20.747","0.004","14.67","0.003","90","","135","0.03","90","","4465","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H4.6 O44.5 Zr6 -","- C44 H4.6 O44.4998 Zr6 -","- C88 H9.2 O88.9996 Zr12 -","2","0.5","","Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis.","Journal of the American Chemical Society","2018","140","6","2028","2031","10.1021/jacs.7b12913","","","0.6199","","","0.0766","0.0616","","","0.162","0.1791","","","","","","1.015","","","","has coordinates,has disorder","242002","2020-10-21","18:00:00",""
"4131911","14.493","0.005","14.921","0.005","17.665","0.006","100.095","0.006","107.797","0.008","98.626","0.007","3495","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H63 F24 N10 O7 P4 S5 -","- C49 H63 F24 N10 O7 P4 S5 -","- C98 H126 F48 N20 O14 P8 S10 -","2","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.2665","0.1189","","","0.2539","0.3167","","","","","","1.11","","","","has coordinates,has disorder","242003","2020-10-21","18:00:00",""
"4131912","27.323","0.003","31.177","0.004","11.9178","0.0015","90","","90","","90","","10152","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43 H33 F18 N10 O4 P3 S2 -","- C39 H33 F18 N10 O2 P3 -","- C312 H264 F144 N80 O16 P24 -","8","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.1593","0.091","","","0.2027","0.2361","","","","","","1.045","","","","has coordinates,has disorder","242004","2020-10-21","18:00:00",""
"4131913","19.866","0.003","7.7093","0.0011","22.122","0.003","90","","90","","90","","3388","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H54 Ca2 I2 O6 -","- C26 H54 Ca2 I2 O6 -","- C104 H216 Ca8 I8 O24 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0802","0.0689","","","0.1414","0.1461","","","","","","1.085","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131914","12.223","0.009","17.635","0.014","18.194","0.015","90","","93.383","0.016","90","","3915","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.92 H64.75 Ca3 I1.08 O5 -","- C29.917 H64.751 Ca3 I1.083 O5 -","- C119.668 H259.004 Ca12 I4.332 O20 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.056","0.0362","","","0.0844","0.0945","","","","","","1.05","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131915","11.864","0.009","12.059","0.009","20.598","0.017","96.07","0.02","95.89","0.02","99.03","0.015","2873","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H88 B2 Ca N12 -","- C55 H88 B2 Ca N12 -","- C110 H176 B4 Ca2 N24 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0887","0.0489","","","0.0988","0.1148","","","","","","1.016","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131916","11.6278","0.0011","15.9075","0.0015","19.5703","0.0018","79.691","0.002","80.461","0.002","80.899","0.002","3481.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H110 B2 Ca2 N12 O3 -","- C62 H110 B2 Ca2 N12 O3 -","- C124 H220 B4 Ca4 N24 O6 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0572","0.0406","","","0.0943","0.103","","","","","","1.019","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131917","22.2039","0.0017","12.3521","0.0009","27.028","0.002","90","","101.36","0.001","90","","7267.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H53 B Ca N6 O -","- C30 H53 B Ca N6 O -","- C240 H424 B8 Ca8 N48 O8 -","8","2","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0577","0.0462","","","0.1162","0.124","","","","","","1.027","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4131918","12.3787","0.0012","19.6198","0.0018","12.7078","0.0012","90","","111.5","0.001","90","","2871.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H108 Ca2 O6 -","- C55 H108 Ca2 O6 -","- C110 H216 Ca4 O12 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0427","0.0398","","","0.1045","0.107","","","","","","1.057","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131919","13.0501","0.0007","19.3522","0.001","22.1731","0.0011","90","","92.027","0.001","90","","5596.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H105.5 Ca2 O5 -","- C52.5 H105.5 Ca2 O5 -","- C210 H422 Ca8 O20 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.083","0.0661","","","0.1693","0.1859","","","","","","1.036","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131920","7.388","0.006","19.802","0.012","9.63","0.005","90","","90","","90","","1408.8","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C8 H24 Ca Ga2 -","- C8 H24 Ca Ga2 -","- C32 H96 Ca4 Ga8 -","4","0.5","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0189","0.0172","","","0.0377","0.0384","","","","","","1.017","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4131921","15.317","0.006","8.924","0.003","16.982","0.006","90","","111.376","0.006","90","","2161.6","1.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N2 P -","- C27 H19 N2 P -","- C108 H76 N8 P4 -","4","1","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0657","","","","0.1343","","","","","","1.032","","","","has coordinates","242006","2020-10-21","18:00:00",""
"4131922","15.138","0.004","9.219","0.003","28.143","0.008","90","","100.742","0.005","90","","3859","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H13 N2 P -","- C19 H13 N2 P -","- C190 H130 N20 P10 -","10","2.5","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0762","","","","0.1658","","","","","","1.025","","","","has coordinates","242007","2020-10-21","18:00:00",""
"4131923","6.4957","0.0003","9.6763","0.0005","14.8709","0.0007","97.388","0.002","95.474","0.002","100.439","0.002","904.82","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Wang, Gang-Wei; Bower, John F.","Modular Access to Azepines by Directed Carbonylative C-C Bond Activation of Aminocyclopropanes.","Journal of the American Chemical Society","2018","140","8","2743","2747","10.1021/jacs.7b13087","","","0.71073","MoKα","","0.0484","0.0405","","","0.1022","0.1083","","","","","","1.049","","","","has coordinates","242008","2020-10-21","18:00:00",""
"4131924","18.052","0.005","23.231","0.005","26.344","0.005","70.236","0.005","77.675","0.005","86.573","0.005","10156","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Ni18 Cl6 (C40H44S4O4)6 (C6H4NO2S)6]","","","- C276 H288 Cl6 N6 Ni18 O36 S30 -","- C276 H270 Cl6 N6 Ni18 O36 S30 -","- C276 H270 Cl6 N6 Ni18 O36 S30 -","1","0.5","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Li, Xiaokun; Liao, Wuping; Chen, Wei","Calixarene-Based {Ni<sub>18</sub>} Coordination Wheel: Highly Efficient Electrocatalyst for the Glucose Oxidation and Template for the Homogenous Cluster Fabrication.","Journal of the American Chemical Society","2018","140","20","6271","6277","10.1021/jacs.7b13193","","","0.71073","MoKα","","0.1187","0.0801","","","0.2208","0.241","","","","","","0.906","","","","has coordinates,has disorder","242009","2020-10-21","18:00:00",""
"4131925","15.0672","0.0005","9.0113","0.0003","17.5426","0.0006","90","","97.696","0.003","90","","2360.39","0.14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","diaqua bis(ditetrazolyl)propane copper(II) chlorate","diaqua bis(ditetrazolyl)propane copper(II) chlorate","","- C10 H20 Cl2 Cu N16 O8 -","- C10 H20 Cl2 Cu N16 O8 -","- C40 H80 Cl8 Cu4 N64 O32 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.08","0.0834","","","","","","1.08","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131926","13.1028","0.001","10.7288","0.0008","16.2265","0.0014","90","","95.036","0.007","90","","2272.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate","tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate","","- C8 H20 Cl2 Cu N20 O6 -","- C8 H20 Cl2 Cu N20 O6 -","- C32 H80 Cl8 Cu4 N80 O24 -","4","1","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.1099","0.0853","","","0.2388","0.2549","","","","","","1.13","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131927","7.6403","0.0003","10.0072","0.0004","13.623","0.0005","90","","90.4","0.005","90","","1041.56","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dichlorato tetrakis(1-methyltetrazolyl)copper(II)","dichlorato tetrakis(1-methyltetrazolyl)copper(II)","","- C8 H16 Cl2 Cu N16 O6 -","- C8 H16 Cl2 Cu N16 O6 -","- C16 H32 Cl4 Cu2 N32 O12 -","2","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.028","0.0244","","","0.0609","0.0628","","","","","","1.103","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131928","14.6638","0.0007","8.9883","0.0005","16.3538","0.0008","90","","90.324","0.005","90","","2155.44","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dichlorato bis(ditetrazolylpropane copper(II)","dichlorato bis(ditetrazolylpropane copper(II)","","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","- C40 H64 Cl8 Cu4 N64 O24 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0667","0.0437","","","0.092","0.1043","","","","","","1.056","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131929","6.7837","0.0008","8.182","0.001","10.1959","0.0012","108.068","0.011","101.188","0.01","90.137","0.01","526.6","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","dichlorato bis(1,2-ditetrazolyl)propane copper(II)","dichlorato bis(1,2-ditetrazolyl)propane copper(II)","","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","1","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0831","0.0439","","","0.0577","0.0658","","","","","","0.889","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131930","13.5622","0.0016","15.5713","0.0018","7.7338","0.0015","90","","91.559","0.012","90","","1632.6","0.4","143","2","143","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","tris(4-amino-1,2,4-triazolyl) copper(II) chlorate","tris(4-amino-1,2,4-triazolyl) copper(II) chlorate","","- C6 H12 Cl2 Cu N12 O6 -","- C6 H12 Cl2 Cu N12 O6 -","- C24 H48 Cl8 Cu4 N48 O24 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.1224","0.0716","","","0.1573","0.1861","","","","","","1.034","","","","has coordinates,has disorder","242010","2020-10-21","18:00:00",""
"4131931","10.7286","0.0006","6.8178","0.0004","15.5263","0.0012","90","","100.469","0.006","90","","1116.77","0.13","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(ditetrazolylbutane) copper(II) chlorate","bis(ditetrazolylbutane) copper(II) chlorate","","- C12 H20 Cl2 Cu N16 O6 -","- C12 H20 Cl2 Cu N16 O6 -","- C24 H40 Cl4 Cu2 N32 O12 -","2","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.058","0.0433","","","0.1069","0.1155","","","","","","1.092","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131932","6.5617","0.0003","7.526","0.0004","9.0097","0.0004","111.762","0.002","98.711","0.002","104.197","0.002","385.81","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)","diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)","","- C4 H14 Cl2 Cu N10 O8 -","- C4 H14 Cl2 Cu N10 O8 -","- C4 H14 Cl2 Cu N10 O8 -","1","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","","0.71073","MoKα","","0.0335","0.0295","","","0.0619","0.0635","","","","","","1.117","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131933","7.2932","0.0002","10.9456","0.0003","12.417","0.0003","93.041","0.001","96.845","0.001","91.156","0.001","982.43","0.04","100","","100","2","","","","","","","","6","P -1","-P 1","2","dichlorato tetrakis(1-amino-1,2,3-triazolyl) copper(II)","dichlorato tetrakis(1-amino-1,2,3-triazolyl) copper(II)","","- C8 H16 Cl2 Cu N16 O6 -","- C8 H16 Cl2 Cu N16 O6 -","- C16 H32 Cl4 Cu2 N32 O12 -","2","1","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","","0.71073","MoKα","","0.0317","0.0243","","","0.0727","0.094","","","","","","1.263","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131934","10.9642","0.0002","10.9642","0.0002","14.3772","0.0004","90","","90","","120","","1496.78","0.06","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(ditetrazolylpropyl) copper(II) chlorate","tris(ditetrazolylpropyl) copper(II) chlorate'","","- C15 H24 Cl2 Cu N24 O6 -","- C15 H24 Cl2 Cu N24 O6 -","- C30 H48 Cl4 Cu2 N48 O12 -","2","0.166667","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0758","0.0818","","","","","","1.061","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131935","18.626","0.003","18.626","0.003","55.983","0.011","90","","90","","120","","16820","5","100","","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Ce N9 -","- C57 H72 Ce N9 -","- C684 H864 Ce12 N108 -","12","0.333333","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0479","0.0375","","","0.0978","0.1051","","","","","","1.12","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131936","10.0315","0.0004","11.8803","0.0004","17.842","0.0007","82.423","0.002","85.788","0.002","89.638","0.002","2102.09","0.14","100","2","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H72 Ce N9 -","- C36 H72 Ce N9 -","- C72 H144 Ce2 N18 -","2","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0259","0.0211","","","0.0466","0.0482","","","","","","1.028","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131937","13.2861","0.0006","19.9413","0.001","18.6655","0.0009","90","","109.946","0.002","90","","4648.6","0.4","100","2","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H84 Ce N9 -","- C39 H84 Ce N9 -","- C156 H336 Ce4 N36 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0268","0.0198","","","0.0426","0.045","","","","","","1.023","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131938","24.249","0.002","13.9439","0.0012","18.4167","0.0016","90","","115.072","0.004","90","","5640.4","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 Ce N9 -","- C48 H96 Ce N9 -","- C192 H384 Ce4 N36 -","4","0.5","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0886","0.0846","","","0.2279","0.2309","","","","","","1.126","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131939","12.8493","0.0007","10.7028","0.0006","39.41","0.002","90","","93.013","0.002","90","","5412.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H96 Ce N9 Si3 -","- C42 H96 Ce N9 Si3 -","- C168 H384 Ce4 N36 Si12 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.1165","0.1014","","","0.193","0.197","","","","","","1.497","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131940","20.8203","0.0017","15.8035","0.0012","20.8531","0.0018","90","","90.547","0.003","90","","6861.1","1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H116 Ce I2 Li N6 O2 -","- C67 H116 Ce I2 Li N6 O2 -","- C268 H464 Ce4 I8 Li4 N24 O8 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0745","0.0624","","","0.1321","0.143","","","","","","1.17","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131941","44.203","0.005","44.203","0.005","26.08","0.003","90","","90","","120","","44131","9","100","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C81 H132 Ce N9 -","- C81 H132 Ce N9 -","- C1458 H2376 Ce18 N162 -","18","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0533","0.04","","","0.0743","0.0795","","","","","","1.042","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131942","8.998","0.0002","11.5663","0.0002","17.6674","0.0005","90","","90","","90","","1838.71","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl F3 N2 O -","- C20 H22 Cl F3 N2 O -","- C80 H88 Cl4 F12 N8 O4 -","4","1","","Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song","Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes.","Journal of the American Chemical Society","2018","140","7","2438","2441","10.1021/jacs.7b13387","","x-ray","1.54184","CuKα","","0.0482","0.0446","","","0.1151","0.1209","","","","","","1.035","","","","has coordinates","242012","2020-10-21","18:00:00",""
"4131943","9.64769","0.00005","11.43518","0.00007","15.03401","0.00009","90","","90","","90","","1658.6","0.017","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0294","0.0258","","","0.0691","0.0705","","","","","","1.044","","","","has coordinates","242013","2020-10-21","18:00:00",""
"4131944","8.161","0.006","10.276","0.007","13.734","0.008","102.45","0.02","97.861","0.019","112.29","0.02","1009.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C46 H52 N4 O14 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.1","0.0669","","","0.1652","0.1872","","","","","","1.074","","","","has coordinates","242014","2020-10-21","18:00:00",""
"4131945","6.8694","0.0003","10.0331","0.0004","15.3665","0.0007","81.1902","0.001","88.6152","0.001","89.8076","0.001","1046.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C48 H52 N4 O14 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0485","0.0417","","","0.1146","0.1202","","","","","","1.046","","","","has coordinates","242015","2020-10-21","18:00:00",""
"4131946","7.2777","0.0003","8.2938","0.0004","9.0157","0.0003","77.686","0.004","83.158","0.003","69.733","0.004","498.14","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Br3 N4 Ru -","- C20 H16 Br3 N4 Ru -","- C20 H16 Br3 N4 Ru -","1","0.5","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0734","0.0603","","","0.1769","0.2071","","","","","","1.019","","","","has coordinates","242016","2020-10-21","18:00:00",""
"4131947","8.7314","0.0003","18.821","0.0007","11.6512","0.0004","90","","102.367","0.0011","90","","1870.26","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O5 -","- C22 H24 N2 O5 -","- C88 H96 N8 O20 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0571","0.0437","","","0.1072","0.1156","","","","","","1.041","","","","has coordinates,has disorder","242017","2020-10-21","18:00:00",""
"4131948","45.773","0.0005","7.9396","0.0001","13.4558","0.0001","90","","97.262","0.001","90","","4850.87","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C49.5 H55 N4 O12.5 S2 -","- C49.5 H55 N4 O12.5 S2 -","- C198 H220 N16 O50 S8 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0505","0.0406","","","0.1045","0.1104","","","","","","1.007","","","","has coordinates,has disorder","242018","2020-10-21","18:00:00",""
"4131949","12.0865","0.0005","13.2673","0.0005","13.6282","0.0005","90","","115.234","0.0008","90","","1976.81","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C92 H104 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0457","0.0404","","","0.1133","0.1178","","","","","","1.051","","","","has coordinates","242019","2020-10-21","18:00:00",""
"4131950","10.9813","0.0003","8.0063","0.0002","24.4059","0.0007","90","","98.934","0.003","90","","2119.72","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C96 H120 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.046","0.0366","","","0.1007","0.1056","","","","","","1.037","","","","has coordinates","242020","2020-10-21","18:00:00",""
"4131951","7.2219","0.0015","9.354","0.002","13.497","0.003","84.894","0.004","85.225","0.004","68.613","0.004","844.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0751","0.059","","","0.155","0.1679","","","","","","1.029","","","","has coordinates","242021","2020-10-21","18:00:00",""
"4131952","7.9625","0.0013","10.842","0.002","12.972","0.003","74.54","0.006","74.559","0.006","87.974","0.006","1039.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0628","0.0444","","","0.1003","0.1113","","","","","","1.023","","","","has coordinates","242022","2020-10-21","18:00:00",""
"4131953","13.6713","0.0013","37.374","0.004","8.2094","0.0007","90","","90","","90","","4194.6","0.7","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C192 H208 N16 O56 -","8","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0461","0.0396","","","0.0954","0.1002","","","","","","1.077","","","","has coordinates","242023","2020-10-21","18:00:00",""
"4131954","7.84898","0.00008","14.47011","0.00018","15.52093","0.00016","90","","90","","90","","1762.8","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20.18 N2 O5.09 -","- C21 H20.182 N2 O5.091 -","- C84 H80.728 N8 O20.364 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.033","0.0296","","","0.0798","0.0815","","","","","","1.071","","","","has coordinates,has disorder","242024","2020-10-21","18:00:00",""
"4131955","7.3663","0.0005","11.4058","0.0008","12.1822","0.0008","85.2854","0.0018","81.2598","0.0019","85.079","0.002","1005.43","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O4 -","- C22 H24 Cl2 N2 O4 -","- C44 H48 Cl4 N4 O8 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0786","0.0704","","","0.2224","0.234","","","","","","1.031","","","","has coordinates,has disorder","242025","2020-10-21","18:00:00",""
"4131956","11.221","0.0008","7.2383","0.0005","29.137","0.003","90","","96.855","0.007","90","","2349.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl3 N2 O6 -","- C23 H27 Cl3 N2 O6 -","- C92 H108 Cl12 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0984","0.0623","","","0.1451","0.1645","","","","","","1.066","","","","has coordinates","242026","2020-10-21","18:00:00",""
"4131957","47.826","0.002","21.1891","0.0009","27.0097","0.0012","90","","94.628","0.003","90","","27282","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C170 H142 Cl4 N8 O18.66667 -","- C170 H142 Cl4 N8 O18.6667 -","- C1020 H852 Cl24 N48 O112 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1762","0.1416","","","0.3379","0.3812","","","","","","1.131","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131958","6.5343","0.0003","17.9861","0.0007","32.523","0.0014","90","","90","","90","","3822.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 O4 -","- C52 H40 O4 -","- C208 H160 O16 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0396","0.0351","","","0.0967","0.1031","","","","","","1.059","","","","has coordinates","242028","2020-10-21","18:00:00",""
"4131959","5.146","","18.162","","20.254","","90","","90","","90","","1892.97","","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H16 -","- C30 H16 -","- C120 H64 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0314","0.0282","","","0.065","0.0668","","","","","","1.072","","","","has coordinates","242029","2020-10-21","18:00:00",""
"4131960","47.641","0.003","21.1704","0.001","27.0403","0.0012","90","","94.904","0.003","90","","27172","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C171.33333 H144.66667 Cl6.66667 N8 O24 -","- C171.333 H144.667 Cl6.66667 N8 O24 -","- C1028 H868 Cl40 N48 O144 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1669","0.1513","","","0.3637","0.3891","","","","","","1.185","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131961","7.4332","0.001","8.2644","0.0011","22.734","0.003","90","","96.542","0.015","90","","1387.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O6 S -","- C12 H13 N3 O6 S -","- C48 H52 N12 O24 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0611","0.0459","","","0.1163","0.1242","","","","","","1.058","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131962","10.817","0.005","11.154","0.005","13.163","0.005","92.607","0.005","112.415","0.005","92.17","0.005","1464","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N4 O11 S2 -","- C27 H30 N4 O11 S2 -","- C54 H60 N8 O22 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.09","0.0762","","","0.2141","0.2226","","","","","","1.106","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131963","7.0021","0.0003","9.7512","0.0005","13.0986","0.0008","70.369","0.005","88.781","0.004","82.494","0.004","834.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N5 O5 S -","- C16 H15 N5 O5 S -","- C32 H30 N10 O10 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0539","0.0423","","","0.0979","0.1052","","","","","","1.072","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131964","7.3537","0.0003","14.8454","0.0011","12.3215","0.0005","90","","94.038","0.004","90","","1341.78","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O5 S -","- C12 H13 N3 O5 S -","- C48 H52 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0622","0.0487","","","0.1278","0.1347","","","","","","1.105","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131965","10.4132","0.0003","13.5716","0.0003","29.547","0.0008","90","","90","","90","","4175.69","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N5 O8 S2 -","- C18 H21 N5 O8 S2 -","- C144 H168 N40 O64 S16 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0412","0.0346","","","0.084","0.0879","","","","","","1.047","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131966","7.017","0.005","17.287","0.005","12.578","0.005","90","0.005","94.34","0.005","90","0.005","1521.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O8 S -","- C12 H14 N4 O8 S -","- C48 H56 N16 O32 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0634","0.0611","","","0.1689","0.1728","","","","","","1.04","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131967","11.6451","0.0007","8.0014","0.0004","22.6883","0.0012","90","","91.37","0.005","90","","2113.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H23 N5 O6 S2 -","- C18 H23 N5 O6 S2 -","- C72 H92 N20 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0705","0.0594","","","0.167","0.1831","","","","","","1.048","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131968","9.9888","0.0015","10.2796","0.0012","12.3288","0.0019","68.939","0.013","79.698","0.013","69.115","0.012","1101.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N5 O8 S2 -","- C16 H26 N5 O8 S2 -","- C32 H52 N10 O16 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0891","0.0722","","","0.1994","0.216","","","","","","1.046","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131969","7.7154","0.0005","11.5739","0.001","12.5866","0.0007","68.866","0.007","83.563","0.005","82.184","0.006","1036.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N7 O10 S2 -","- C16 H17 N7 O10 S2 -","- C32 H34 N14 O20 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0513","0.0464","","","0.1213","0.126","","","","","","1.035","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131970","26.738","0.005","7.081","0.0011","30.146","0.007","90","","90.53","0.02","90","","5707.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H64 N4 O13 S4 -","- C58 H64 N4 O13 S4 -","- C232 H256 N16 O52 S16 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.144","0.0799","","","0.1975","0.2479","","","","","","0.941","","","","has coordinates,has disorder","242032","2020-10-21","18:00:00",""
"4131971","6.0303","0.0006","9.721","0.0008","12.4638","0.0012","98.012","0.007","94.549","0.008","97.848","0.007","713.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O12 S2 -","- C26 H26 N4 O12 S2 -","- C26 H26 N4 O12 S2 -","1","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0604","0.0528","","","0.1353","0.1425","","","","","","1.072","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131972","14.5751","0.0006","7.3814","0.0003","18.0511","0.0008","90","","92.517","0.004","90","","1940.15","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 S -","- C20 H23 N3 O5 S -","- C80 H92 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0538","0.0436","","","0.107","0.113","","","","","","1.042","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131973","5.7205","0.0006","20.45","0.002","11.7153","0.0011","90","","102.871","0.01","90","","1336.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C52 H56 N4 O16 S4 -","2","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0783","0.0668","","","0.1761","0.1879","","","","","","1.079","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131974","12.9855","0.0009","7.3929","0.0005","13.8095","0.0008","90","","100.742","0.006","90","","1302.49","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O12 S2 -","- C24 H22 N4 O12 S2 -","- C48 H44 N8 O24 S4 -","2","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0497","0.0437","","","0.1127","0.1166","","","","","","1.058","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131975","7.7042","0.0005","12.1758","0.0009","13.3268","0.001","84.238","0.006","89.648","0.005","83.067","0.006","1234.68","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O9 S2 -","- C24 H26 N2 O9 S2 -","- C48 H52 N4 O18 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0553","0.0463","","","0.1106","0.1158","","","","","","1.065","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131976","12.9248","0.0003","7.3758","0.0002","26.709","0.0005","90","","91.338","0.002","90","","2545.49","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O11 S2 -","- C24 H26 N2 O11 S2 -","- C96 H104 N8 O44 S8 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0554","0.0439","","","0.1067","0.1133","","","","","","1.027","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131977","21.8681","0.0014","5.6881","0.0003","23.3203","0.0015","90","","101.161","0.006","90","","2845.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0942","0.0783","","","0.2127","0.2354","","","","","","1.09","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131978","8.124","0.0002","5.7011","0.0002","23.0661","0.0007","90","","93.074","0.003","90","","1066.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O4 S -","- C10 H12 N O4 S -","- C40 H48 N4 O16 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0517","0.0442","","","0.1139","0.1185","","","","","","1.103","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131979","8.8901","0.0002","7.0512","0.0002","16.8721","0.0005","90","","95.229","0.003","90","","1053.24","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N O3 S -","- C10 H12 N O3 S -","- C40 H48 N4 O12 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0535","0.0447","","","0.1313","0.1381","","","","","","1.063","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131980","17.884","0.0012","6.712","0.0004","19.8456","0.0014","90","","112.723","0.008","90","","2197.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H11 N2 O5 S -","- C10 H11 N2 O5 S -","- C80 H88 N16 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0357","0.0335","","","0.09","0.0917","","","","","","1.083","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131981","27.044","0.009","6.9584","0.0014","15.834","0.006","90","","118.16","0.03","90","","2627","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0575","0.0466","","","0.1342","0.1426","","","","","","1.078","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131982","15.3959","0.0013","7.2509","0.0005","23.9608","0.0019","90","","92.573","0.006","90","","2672.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0627","0.0509","","","0.1343","0.1429","","","","","","1.105","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131983","19.9706","0.001","7.039","0.0003","21.9707","0.0012","90","","113.547","0.006","90","","2831.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 O6 S2 -","- C30 H36 N2 O6 S2 -","- C120 H144 N8 O24 S8 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0682","0.0521","","","0.1312","0.1456","","","","","","1.034","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131984","10.6823","0.0015","11.4435","0.0014","13.2985","0.0017","87.212","0.01","70.525","0.012","81.733","0.011","1516.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O11 S2 -","- C28 H32 N4 O11 S2 -","- C56 H64 N8 O22 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.1224","0.0888","","","0.238","0.2792","","","","","","1.03","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131985","5.9637","0.0002","15.7025","0.0004","11.9733","0.0003","90","","95.124","0.002","90","","1116.76","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N O3 S -","- C10 H11 Cl N O3 S -","- C40 H44 Cl4 N4 O12 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0429","0.0383","","","0.1012","0.1039","","","","","","1.073","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131986","8.1551","0.0003","5.7169","0.0003","22.5197","0.0009","90","","94.011","0.003","90","","1047.34","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N O4 S -","- C9 H9 Cl N O4 S -","- C36 H36 Cl4 N4 O16 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0384","0.0335","","","0.0844","0.087","","","","","","1.082","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131987","10.1766","0.0006","10.7552","0.0007","12.5205","0.0008","95.045","0.005","109.245","0.005","102.571","0.005","1243.69","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl3 N3 O6 S2 -","- C21 H21 Cl3 N3 O6 S2 -","- C42 H42 Cl6 N6 O12 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0491","0.0394","","","0.0949","0.1023","","","","","","1.057","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131988","22.1231","0.0007","7.2432","0.0003","19.3126","0.0006","90","","100.197","0.003","90","","3045.81","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cl2 N3 O5 S -","- C12 H11 Cl2 N3 O5 S -","- C96 H88 Cl16 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0468","0.0407","","","0.1087","0.1124","","","","","","1.063","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131989","7.2666","0.0009","14.9473","0.0014","15.224","0.002","90","","99.744","0.014","90","","1629.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O5 S -","- C13 H14 Cl N3 O5 S -","- C52 H56 Cl4 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0791","0.0602","","","0.1549","0.1754","","","","","","1.109","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131990","7.4388","0.0005","8.519","0.0004","12.2969","0.0009","90.408","0.005","107.029","0.006","94.769","0.005","742.12","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N3 O6 S -","- C12 H12 Cl N3 O6 S -","- C24 H24 Cl2 N6 O12 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0444","0.0385","","","0.1071","0.1122","","","","","","1.097","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131991","21.7735","0.0006","14.1989","0.0004","9.4343","0.0003","90","","90","","90","","2916.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H12 Cl N3 O5 S -","- C12 H12 Cl N3 O5 S -","- C96 H96 Cl8 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.047","0.0418","","","0.1233","0.1271","","","","","","1.074","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131992","7.3874","0.0004","9.6593","0.0005","11.6166","0.0007","74.226","0.005","82.828","0.004","72.285","0.004","759.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl N4 O7 S -","- C12 H11 Cl N4 O7 S -","- C24 H22 Cl2 N8 O14 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0896","0.072","","","0.2019","0.227","","","","","","0.981","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131993","13.052","0.003","15.755","0.003","24.071","0.004","90.625","0.003","91.925","0.003","91.633","0.003","4944.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(OEP)Fe(m-OH)B(C6F5)3","","","- C54 H45 B F15 Fe N4 O -","- C54 H45 B F15 Fe N4 O -","- C216 H180 B4 F60 Fe4 N16 O4 -","4","2","","Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B","Lewis Acid Activation of the Ferrous Heme-NO Fragment toward the N-N Coupling Reaction with NO To Generate N<sub>2</sub>O.","Journal of the American Chemical Society","2018","140","12","4204","4207","10.1021/jacs.7b13681","","","0.71073","MoKα","","0.059","0.0406","","","0.0982","0.1088","","","","","","0.998","","","","has coordinates,has disorder","242035","2020-10-21","18:00:00",""
"4131994","8.722","0.003","14.03","0.005","8.981","0.003","90","","111.139","0.006","90","","1025","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C48 H28 F12 N8 -","4","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.71075","MoKα","","0.0664","0.0517","","","0.1467","0.1605","","","","","","1.048","","","","has coordinates","242036","2020-10-21","18:00:00",""
"4131995","14.047","0.002","14.609","0.003","10.026","0.001","90","","90","","90","","2057.5","0.6","300","1","300","1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C96 H56 F24 N16 -","8","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.9991","synchrotron","","0.0499","0.037","","","0.1095","0.118","","","","","","0.978","","","","has coordinates","242037","2020-10-21","18:00:00",""
"4131996","9.431","0.004","9.479","0.004","10.55","0.005","77.104","0.011","86.491","0.011","75.335","0.011","889.4","0.7","225","2","225","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N S2 -","- C10 H6 N S2 -","- C40 H24 N4 S8 -","4","2","","Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T.","Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer.","Journal of the American Chemical Society","2018","140","11","3846","3849","10.1021/jacs.7b13699","","","0.71073","MoKα","","0.1367","0.0842","","","0.2197","0.2509","","","","","","1.078","","","","has coordinates,has disorder","242038","2020-10-21","18:00:00",""
"4131997","16.3598","0.0015","11.2335","0.0014","21.3117","0.0026","90","","91.676","0.009","90","","3914.9","0.8","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cu F6 N10 O Si -","- C10 H12 Cu F6 N10 O Si -","- C80 H96 Cu8 F48 N80 O8 Si8 -","8","1","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","powder diffraction","neutron","2.0775","","","","","","","","","0.09963","","1.1","","","","","","","has coordinates","242039","2020-10-21","18:00:00",""
"4131998","16.9982","0.0008","11.0287","0.0005","21.318","0.0011","90","","90","","90","","3996.4","0.3","293","2","293.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C80 H96 Cu8 F48 N80 O8 Si8 -","4","0.25","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","","","0.71073","MoKα","","0.0631","0.0496","","","0.1324","0.14","","","","","","1.054","","","","has coordinates","242040","2020-10-21","18:00:00",""
"4131999","13.24067","0.00007","7.76255","0.00004","24.8383","0.00013","90","","91.3423","0.0005","90","","2552.21","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O2 -","- C32 H38 O2 -","- C128 H152 O8 -","4","2","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0318","0.0315","","","0.0822","0.0824","","","","","","1.027","","","","has coordinates","242041","2020-10-21","18:00:00",""
"4132000","5.8408","0.0001","16.7324","0.0004","7.8935","0.0002","90","","92.485","0.002","90","","770.71","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0266","0.0265","","","0.0706","0.0715","","","","","","1.069","","","","has coordinates","242043","2020-10-21","18:00:00",""
"4132001","12.843","","20.558","","23.39","","72.79","","77.72","","72.76","","5580.91","","100","","100","","","","","","","","","6","P -1","-P 1","2","","N-triphenylsilylimidobis(N-2,6-diisopropylphenylbenzamido)pyridine titanium(IV)","","- C244 H256 N16 O8 Si4 Ti4 -","- C244 H256 N16 O8 Si4 Ti4 -","- C244 H256 N16 O8 Si4 Ti4 -","1","0.5","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","","0.71073","MoKα","","0.0556","0.0396","","","0.0965","0.1046","","","","","","1.028","","","","has coordinates,has disorder","242044","2020-10-21","18:00:00",""
"4132002","12.8621","0.001","21.1899","0.0017","18.839","0.0015","90","","104.842","0.002","90","","4963.2","0.7","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-2,6-diisopropylphenylbenzamidate)(N-tertbutyldimethylsilylimido)pyridine titanium (IV)","","- C52 H71 N4 O2 Si Ti -","- C52 H71 N4 O2 Si Ti -","- C208 H284 N16 O8 Si4 Ti4 -","4","1","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","x-ray","0.71073","MoKα","","0.0605","0.0427","","","0.1056","0.1155","","","","","","1.012","","","","has coordinates","242045","2020-10-21","18:00:00",""
"4132003","12.4428","0.0012","27.623","0.003","13.2015","0.0012","90","","92.073","0.002","90","","4534.5","0.8","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 N4 O2 Si Ti -","- C46 H66 N4 O2 Si Ti -","- C184 H264 N16 O8 Si4 Ti4 -","4","1","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","x-ray","0.71073","MoKα","","0.047","0.0376","","","0.0886","0.0939","","","","","","1.049","","","","has coordinates","242046","2020-10-21","18:00:00",""
"4132004","4.7391","0.0005","12.8346","0.0014","14.2014","0.0016","90","","96.2262","0.0013","90","","858.7","0.16","88","2","88","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Tao, Daniel J.; Slutskyy, Yuriy; Muuronen, Mikko; Le, Alexander; Kohler, Philipp; Overman, Larry E.","Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade.","Journal of the American Chemical Society","2018","140","8","3091","3102","10.1021/jacs.7b13799","","","0.71073","MoKα","","0.036","0.0336","","","0.0843","0.0863","","","","","","1.038","","","","has coordinates","242047","2020-10-21","18:00:00",""
"4132005","12.7112","0.0005","14.8397","0.0006","15.9385","0.0006","90","","98.6077","0.0013","90","","2972.6","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","XC4","","","- C32 H25 Cl2 F N O3 P Pd S -","- C32 H25 Cl2 F N O3 P Pd S -","- C128 H100 Cl8 F4 N4 O12 P4 Pd4 S4 -","4","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups.","Journal of the American Chemical Society","2018","140","8","2789","2792","10.1021/jacs.8b00048","","","0.71073","MoKα","","0.0397","0.0314","","","0.0736","0.0781","","","","","","1.089","","","","has coordinates,has disorder","242048","2020-10-21","18:00:00",""
"4132006","20.3631","0.0004","28.602","0.0005","12.6388","0.0002","90","","94.0855","0.0017","90","","7342.5","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.0905","0.0785","","","0.2237","0.239","","","","","","1.017","","","","has coordinates,has disorder","242049","2020-10-21","18:00:00",""
"4132007","20.1522","0.0003","28.5668","0.0004","12.54945","0.00019","90","","94.1381","0.0014","90","","7205.68","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.0859","0.0778","","","0.2218","0.2315","","","","","","1.024","","","","has coordinates,has disorder","242050","2020-10-21","18:00:00",""
"4132008","20.4333","0.0007","28.681","0.001","12.643","0.0005","90","","94.243","0.003","90","","7389.1","0.5","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.78 H83.12 Cl4 N10 O15.78 Zn -","- C70.78 H80 Cl4 N10 O15.78 Zn -","- C283.12 H320 Cl16 N40 O63.12 Zn4 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.1025","0.0731","","","0.2005","0.222","","","","","","1.027","","","","has coordinates,has disorder","242051","2020-10-21","18:00:00",""
"4132009","20.566","0.0005","28.5805","0.0008","12.7724","0.0003","90","","94.822","0.002","90","","7480.9","0.3","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.1057","0.0833","","","0.2455","0.2727","","","","","","1.02","","","","has coordinates,has disorder","242052","2020-10-21","18:00:00",""
"4132010","7.071","0.002","21.45","0.008","10.258","0.003","90","","95.885","0.015","90","","1547.7","0.9","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br F6 O2 -","- C13 H19 Br F6 O2 -","- C52 H76 Br4 F24 O8 -","4","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0495","0.044","","","0.1157","0.1185","","","","","","1.087","","","","has coordinates","242053","2020-10-21","18:00:00",""
"4132011","18.1478","0.0007","6.6216","0.0003","17.9704","0.0007","90","","114.684","0.002","90","","1962.14","0.14","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 I N2 O7 -","- C17 H21 I N2 O7 -","- C68 H84 I4 N8 O28 -","4","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0849","0.0559","","","0.1195","0.1348","","","","","","1.026","","","","has coordinates","242054","2020-10-21","18:00:00",""
"4132012","9.5076","0.0011","9.6913","0.0011","9.753","0.0011","103.771","0.005","91.642","0.005","113.628","0.004","791.84","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 F12 N O3 -","- C10 H13 F12 N O3 -","- C20 H26 F24 N2 O6 -","2","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0613","0.063","","","","","","1.063","","","","has coordinates","242055","2020-10-21","18:00:00",""
"4132013","11.8321","0.0005","13.4953","0.0006","19.2839","0.0009","90","","105.58","0.001","90","","2966.1","0.2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N6 O5 -","- C32 H34 N6 O5 -","- C128 H136 N24 O20 -","4","1","","An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing","Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells.","Journal of the American Chemical Society","2018","140","14","4860","4868","10.1021/jacs.8b00126","","x-ray","0.71073","MoKα","K-L~3~","0.0414","0.0376","","","0.0979","0.1012","","","","","","1.034","","","","has coordinates","242056","2020-10-21","18:00:00",""
"4132014","18.7948","0.0008","5.1334","0.0002","21.0251","0.0009","90","","116.317","0.001","90","","1818.28","0.13","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N6 O -","- C22 H18 N6 O -","- C88 H72 N24 O4 -","4","1","","An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing","Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells.","Journal of the American Chemical Society","2018","140","14","4860","4868","10.1021/jacs.8b00126","","x-ray","0.71073","MoKα","K-L~3~","0.0432","0.0376","","","0.0976","0.1023","","","","","","1.045","","","","has coordinates","242057","2020-10-21","18:00:00",""
"4132015","26.948","0.002","12.8189","0.0011","14.408","0.0012","90","","109.941","0.0014","90","","4678.8","0.7","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H11 I4 N5 Pb -","- C1.91 H11 I4 N5 Pb -","- C22.92 H132 I48 N60 Pb12 -","12","1.5","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Aebli, Marcel; Rainò, Gabriele; Benin, Bogdan M.; Wörle, Michael; Kovalenko, Maksym V.","Guanidinium-Formamidinium Lead Iodide: A Layered Perovskite-Related Compound with Red Luminescence at Room Temperature.","Journal of the American Chemical Society","2018","140","11","3850","3853","10.1021/jacs.8b00194","","x-ray","0.71073","MoKα","","0.0553","0.0411","","","0.0951","0.1021","","","","","","1.078","","","","has coordinates,has disorder","242058","2020-10-21","18:00:00",""
"4132016","13.4351","0.0002","13.4351","0.0002","10.3042","0.0002","90","","90","","90","","1859.93","0.05","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C44 H60 Fe N2 -","- C44 H60 Fe N2 -","- C88 H120 Fe2 N4 -","2","0.5","","Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J.","Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts.","Journal of the American Chemical Society","2018","140","9","3443","3453","10.1021/jacs.8b00245","","","1.54178","CuKα","","0.0304","0.0299","","","0.0762","0.0769","","","","","","0.944","","","","has coordinates","242059","2020-10-21","18:00:00",""
"4132017","10.8062","0.0003","18.8852","0.0005","15.2388","0.0004","90","","105.087","0.001","90","","3002.7","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Fe N2 -","- C33 H48 Fe N2 -","- C132 H192 Fe4 N8 -","4","1","","Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J.","Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts.","Journal of the American Chemical Society","2018","140","9","3443","3453","10.1021/jacs.8b00245","","","1.54178","CuKα","","0.0411","0.0379","","","0.0975","0.1006","","","","","","1.047","","","","has coordinates","242059","2020-10-21","18:00:00",""
"4132018","28.7833","0.0004","7.6635","0.0001","5.2638","0.0001","90","","90","","90","","1161.09","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0694","0.0699","","","","","","1.081","","","","has coordinates","242060","2020-10-21","18:00:00",""
"4132019","15.7236","0.0003","33.2669","0.0004","27.9753","0.0005","90","","90.4715","0.0015","90","","14632.7","0.4","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79.21 H97.21 Cl0.63 N O15 -","- C79.2108 H97.2108 Cl0.63225 N O15 -","- C633.686 H777.686 Cl5.058 N8 O120 -","8","4","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.0892","0.0717","","","0.1847","0.1989","","","","","","1.014","","","","has coordinates,has disorder","242061","2020-10-21","18:00:00",""
"4132020","14.2326","0.0002","15.8893","0.0003","21.2641","0.0004","95.728","0.0017","105.042","0.0016","109.927","0.0016","4271.09","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Mn N4 O -","- C91 H60 Mn N4 O -","- C182 H120 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0607","0.0441","","","0.1153","0.1246","","","","","","1.047","","","","has coordinates,has disorder","242062","2020-10-21","18:00:00",""
"4132021","14.1236","0.0002","15.7359","0.0003","21.2624","0.0003","94.8197","0.0014","105.143","0.0015","109.402","0.0016","4226.02","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Mn N4 O -","- C91 H59 Mn N4 O -","- C182 H118 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0483","0.0426","","","0.1082","0.1119","","","","","","1.027","","","","has coordinates,has disorder","242063","2020-10-21","18:00:00",""
"4132022","14.2994","0.0003","16.0576","0.0003","21.14","0.0003","95.3261","0.0013","105.447","0.0015","110.607","0.0016","4284.67","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H65 Mn N4 O -","- C97 H65 Mn N4 O -","- C194 H130 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0517","0.0442","","","0.119","0.1251","","","","","","1.016","","","","has coordinates,has disorder","242064","2020-10-21","18:00:00",""
"4132023","14.1015","0.0002","15.8829","0.0003","21.2236","0.0003","95.5849","0.0014","104.613","0.0014","109.579","0.0018","4246.68","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.08 H64.66 F0.85 Mn0.71 N4 O0.71 -","- C96.082 H64.6578 F0.847 Mn0.7114 N4 O0.7114 -","- C192.164 H129.316 F1.694 Mn1.4228 N8 O1.4228 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0537","0.0476","","","0.1409","0.1474","","","","","","1.051","","","","has coordinates,has disorder","242065","2020-10-21","18:00:00",""
"4132024","14.4058","0.0005","15.7896","0.0005","21.3052","0.0006","95.599","0.002","105.387","0.003","109.867","0.003","4299.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Cl Mn N4 -","- C91 H59 Cl Mn N4 -","- C182 H118 Cl2 Mn2 N8 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0609","0.0475","","","0.1236","0.1321","","","","","","1.045","","","","has coordinates,has disorder","242066","2020-10-21","18:00:00",""
"4132025","14.1337","0.0003","15.8214","0.0003","21.3618","0.0004","95.3238","0.0016","104.934","0.0017","109.415","0.0018","4268.74","0.16","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Mn N4 O -","- C91 H59 Mn N4 O -","- C182 H118 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0578","0.0503","","","0.139","0.1456","","","","","","1.037","","","","has coordinates,has disorder","242067","2020-10-21","18:00:00",""
"4132026","7.923","0.002","9.918","0.003","10.534","0.003","84.008","0.005","79.819","0.005","79.127","0.005","797.9","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","x0918","","- C19 H14 F5 N O -","- C19 H14 F5 N O -","- C38 H28 F10 N2 O2 -","2","1","","Xiong, Peng; Xu, He-Huan; Song, Jinshuai; Xu, Hai-Chao","Electrochemical Difluoromethylarylation of Alkynes.","Journal of the American Chemical Society","2018","140","7","2460","2464","10.1021/jacs.8b00391","","","0.71073","MoKα","","0.0618","0.0532","","","0.1397","0.1459","","","","","","1.074","","","","has coordinates","242068","2020-10-21","18:00:00",""
"4132027","13.0401","0.0015","22.315","0.0019","16.9829","0.0016","90","","94.276","0.007","90","","4928.1","0.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H160 Mo8 N4 O28 -","- C72 H160 Mo8 N4 O28 -","- C144 H320 Mo16 N8 O56 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","0.7388","Synchrotron","","0.0806","0.0663","","","0.184","0.1927","","","","","","1.079","","","","has coordinates","242069","2020-10-21","18:00:00",""
"4132028","16.7178","0.0004","34.1498","0.0006","18.9986","0.0003","90","","96.009","0.004","90","","10786.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C328 H240 B8 F32 N80 O48 Pd8 S6 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","1.54184","CuKα","","0.1375","0.1186","","","0.3659","0.3949","","","","","","1.63","","","","has coordinates,has disorder","242070","2020-10-21","18:00:00",""
"4132029","18.388","0.004","36.235","0.007","38.605","0.008","90","","90.18","0.03","90","","25722","9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 B4 F16 N40 O24 Pd4 -","- C128 H96 B4 F16 N40 O24 Pd4 -","- C512 H384 B16 F64 N160 O96 Pd16 -","4","1","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","0.68857","synchrotron","","0.1091","0.0989","","","0.3273","0.3407","","","","","","1.539","","","","has coordinates","242071","2020-10-21","18:00:00",""
"4132030","10.8549","0.0006","17.272","0.0009","25.326","0.0013","90","","100.638","0.0016","90","","4666.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F24 Mo2 O10 -","- C36 H38 F24 Mo2 O10 -","- C144 H152 F96 Mo8 O40 -","4","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0342","0.0241","","","0.0544","0.062","","","","","","1.132","","","","has coordinates,has disorder","242072","2020-10-21","18:00:00",""
"4132031","10.1656","0.001","10.6334","0.0011","14.9661","0.0015","89.0887","0.0016","71.4763","0.0015","66.749","0.0015","1398.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 F12 Mo O4 P -","- C24 H25 F12 Mo O4 P -","- C48 H50 F24 Mo2 O8 P2 -","2","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0207","0.0196","","","0.0472","0.0477","","","","","","1.092","","","","has coordinates","242073","2020-10-21","18:00:00",""
"4132032","18.003","0.0011","24.0118","0.0013","23.9393","0.0015","90","","90.302","0.003","90","","10348.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 Cl Mo O3 P -","- C52 H78 Cl Mo O3 P -","- C416 H624 Cl8 Mo8 O24 P8 -","8","2","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0822","0.0681","","","0.1902","0.2113","","","","","","1.042","","","","has coordinates,has disorder","242074","2020-10-21","18:00:00",""
"4132033","38.555","0.004","38.555","0.004","17.0605","0.0019","90","","90","","120","","21963","4","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C90.67 H44 B12 Ni0.67 O32.67 Zr6 -","- C90.6672 H44 B12.0021 Ni0.666667 O32.6667 Zr6 -","- C272.002 H132 B36.0064 Ni2 O98 Zr18 -","3","0.125","","Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T.; Goswami, Subhadip; Cui, Yuexing; Hupp, Joseph T.; Spokoyny, Alexander M.; Farha, Omar K.","Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests.","Journal of the American Chemical Society","2018","140","11","3871","3875","10.1021/jacs.8b00605","","","0.71073","MoKα","","0.1423","0.1167","","","0.3224","0.3438","","","","","","1.085","","","","has coordinates,has disorder","242075","2020-10-21","18:00:00",""
"4132034","8.1648","0.0003","16.1293","0.0006","11.1095","0.0004","90","","98.45","0.002","90","","1447.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 B N O4 -","- C13 H24 B N O4 -","- C52 H96 B4 N4 O16 -","4","1","","Ng, Elvis Wang Hei; Low, Kam-Hung; Chiu, Pauline","Synthesis and Applications of Unquaternized C-Bound Boron Enolates.","Journal of the American Chemical Society","2018","140","10","3537","3541","10.1021/jacs.8b00614","","","1.54178","CuKα","","0.0867","0.0667","","","0.2004","0.2289","","","","","","1.062","","","","has coordinates","242076","2020-10-21","18:00:00",""
"4132035","10.3038","0.0007","16.368","0.0012","7.0296","0.0005","90","","104.63","0.0019","90","","1147.12","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 -","- C30 H30 N4 -","- C60 H60 N8 -","2","0.5","","Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten","A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer.","Journal of the American Chemical Society","2018","140","18","5934","5947","10.1021/jacs.8b00742","","","0.71073","MoKα","","0.0729","0.0475","","","0.0901","0.0996","","","","","","1.075","","","","has coordinates","242077","2020-10-21","18:00:00",""
"4132036","15.0083","0.0008","16.9522","0.0009","17.9794","0.001","87.08","0.002","65.452","0.001","67.926","0.001","3825.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H106 N6 Na O11 Zr -","- C86 H106 N6 Na O11 Zr -","- C172 H212 N12 Na2 O22 Zr2 -","2","1","","Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten","A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer.","Journal of the American Chemical Society","2018","140","18","5934","5947","10.1021/jacs.8b00742","","","0.71073","MoKα","","0.105","0.0672","","","0.1467","0.1728","","","","","","1.032","","","","has coordinates,has disorder","242078","2020-10-21","18:00:00",""
"4132037","13.039","0.002","14.398","0.002","7.8109","0.001","90","","97.6","0.02","90","","1453.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C76 H60 N8 O4 -","2","0.25","","Sun, Yanqiu; Lei, Yilong; Dong, Huanli; Zhen, Yonggang; Hu, Wenping","Solvatomechanical Bending of Organic Charge Transfer Cocrystal.","Journal of the American Chemical Society","2018","140","20","6186","6189","10.1021/jacs.8b00772","","","0.71073","MoKα","","0.062","0.0509","","","0.1455","0.1574","","","","","","1.035","","","","has coordinates","242079","2020-10-21","18:00:00",""
"4132038","11.5521","0.0006","24.1457","0.0009","19.7738","0.001","90","","106.01","0.005","90","","5301.6","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.83 H52.66 Cl9.72 N Sb0.98 -","- C51.829 H52.658 Cl9.719 N Sb0.978 -","- C207.316 H210.632 Cl38.876 N4 Sb3.912 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.147","0.0945","","","0.2293","0.2635","","","","","","1.083","","","","has coordinates,has disorder","242080","2020-10-21","18:00:00",""
"4132039","17.484","0.008","18.351","0.008","18.671","0.009","110.418","0.004","104.903","0.002","108.597","0.0016","4842","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H99 Cl13 N2 Sb2 -","- C106 H99 Cl13 N2 Sb2 -","- C212 H198 Cl26 N4 Sb4 -","2","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71075","MoKα","","0.0927","0.0687","","","0.2072","0.2367","","","","","","1.089","","","","has coordinates,has disorder","242081","2020-10-21","18:00:00",""
"4132040","32.3774","0.0008","12.2907","0.0003","29.9008","0.0007","90","","90.309","0.002","90","","11898.6","0.5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128.76 H137.19 Cl14.9 N2 O2.73 Sb2 -","- C128.758 H137.193 Cl14.9016 N2 O2.7254 Sb2 -","- C515.03 H548.77 Cl59.6064 N8 O10.9016 Sb8 -","4","0.5","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.0655","0.0541","","","0.1368","0.143","","","","","","1.081","","","","has coordinates,has disorder","242082","2020-10-21","18:00:00",""
"4132041","21.4102","0.0005","30.3917","0.0005","25.3832","0.0005","90","","108.985","0.003","90","","15618.2","0.6","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C199.77 H195.32 N4 -","- C199.774 H195.322 N4 -","- C799.096 H781.288 N16 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.0994","0.0607","","","0.1506","0.1795","","","","","","1.033","","","","has coordinates,has disorder","242083","2020-10-21","18:00:00",""
"4132042","35.1167","0.0005","14.8989","0.0002","30.9479","0.0004","90","","101.33","0.001","90","","15876.4","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C128.45 H146.48 Br4.81 I12 N24 Zn6 -","- C128.444 H146.476 Br4.804 I12 N24 Zn6 -","- C513.776 H585.904 Br19.216 I48 N96 Zn24 -","4","1","","Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L.","Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs.","Journal of the American Chemical Society","2018","140","15","4986","4990","10.1021/jacs.8b00821","","","0.71075","MoKα","","0.0638","0.0565","","","0.1567","0.1625","","","","","","1.061","","","","has coordinates,has disorder","242084","2020-10-21","18:00:00",""
"4132043","17.388","0.003","5.0944","0.0009","20.83","0.004","90","","106.664","0.006","90","","1767.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Liu, Zhen; Ni, Hui-Qi; Zeng, Tian; Engle, Keary M.","Catalytic Carbo- and Aminoboration of Alkenyl Carbonyl Compounds via Five- and Six-Membered Palladacycles.","Journal of the American Chemical Society","2018","140","9","3223","3227","10.1021/jacs.8b00881","","x-ray","0.71073","MoKα","","0.0791","0.0464","","","0.1012","0.1146","","","","","","1.012","","","","has coordinates","242085","2020-10-21","18:00:00",""
"4132044","10.566","0.0007","12.3759","0.0009","14.7842","0.001","107.368","0.003","101.454","0.003","94.717","0.004","1787.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","8b","[(1-Ad)2(2-(OCH3)C6H4)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C42 H57 F N O2 P Pd -","- C42 H57 F N O2 P Pd -","- C84 H114 F2 N2 O4 P2 Pd2 -","2","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0336","0.0291","","","0.0648","0.0687","","","","","","1.116","","","","has coordinates","242086","2020-10-21","18:00:00",""
"4132045","8.2454","0.0007","16.806","0.0014","21.3582","0.0018","90","","99.868","0.002","90","","2915.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8a","[t-Bu2(2-(OCH3)C6H4)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C30 H45 F N O2 P Pd -","- C30 H45 F N O2 P Pd -","- C120 H180 F4 N4 O8 P4 Pd4 -","4","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0449","0.0394","","","0.0886","0.0924","","","","","","1.098","","","","has coordinates","242087","2020-10-21","18:00:00",""
"4132046","11.1182","0.0013","11.9143","0.0014","14.2549","0.0016","70.103","0.002","73.8","0.002","77.068","0.002","1687.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","8e","(1-Ad)2(CH3OCH2CH2)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C38 H57 F N O2 P Pd -","- C38 H57 F N O2 P Pd -","- C76 H114 F2 N2 O4 P2 Pd2 -","2","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0525","0.0421","","","0.102","0.1087","","","","","","1.068","","","","has coordinates","242088","2020-10-21","18:00:00",""
"4132047","10.1418","0.0005","14.6984","0.0008","15.9199","0.0009","74.683","0.003","80.155","0.003","83.512","0.003","2249.4","0.2","100","2","100.05","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H33 B Cl2 F20 Ir P -","- C45 H33 B Cl2 F20 Ir P -","- C90 H66 B2 Cl4 F40 Ir2 P2 -","2","1","","Klet, Rachel C.; Kaphan, David M.; Liu, Cong; Yang, Ce; Kropf, A. Jeremy; Perras, Frédéric A; Pruski, Marek; Hock, Adam S.; Delferro, Massimiliano","Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides.","Journal of the American Chemical Society","2018","140","20","6308","6316","10.1021/jacs.8b00995","","","0.71073","MoKα","","0.0518","0.0413","","","0.0875","0.0908","","","","","","1.071","","","","has coordinates,has disorder","242089","2020-10-21","18:00:00",""
"4132048","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4 b m","P 4 -2ab","100","39% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.743 -","- C H5 I3 N2 Pb0.743 -","- C2 H10 I6 N4 Pb1.486 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0877","0.0769","","","0.1475","0.1483","","","","3.65","3.65","3.32","","","","has coordinates","242090","2020-10-21","18:00:00",""
"4132049","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","39% ethylenediamonium formamidinium lead iodide","","","- C H0 I3 N2 Pb0.755 -","- C I3 N2 Pb0.755 -","- C2 I6 N4 Pb1.51 -","2","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0664","0.0606","","","0.1071","0.1077","","","","3.01","3.01","2.86","","","","has coordinates","242091","2020-10-21","18:00:00",""
"4132050","15.54","0.002","5.0795","0.0006","5.0964","0.0007","90","","96.032","0.011","90","","400.06","0.09","293","","293","","","","","","","","","4","I 1 2/m 1","-I 2y","12","ethylenediamonium iodide","","","- C2 H10 I2 N2 -","- C2 H9 I2 N2 -","- C4 H18 I4 N4 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0518","0.045","","","0.1061","0.1071","","","","3.38","3.38","3.24","","","","has coordinates","242092","2020-10-21","18:00:00",""
"4132051","6.3652","0.0019","9.002","0.002","9.0065","0.0013","90","","90","","90","","516.1","0.2","293","","293","","","","","","","","","5","A m m 2","A 2 -2","38","27% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.96 -","- C H5 I3 N2 Pb0.96 -","- C2 H10 I6 N4 Pb1.92 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.1161","0.0801","","","0.2226","0.2264","","","","3.9","3.9","3.02","","","","has coordinates","242093","2020-10-21","18:00:00",""
"4132052","16.492","0.003","4.7532","0.0011","10.4165","0.0018","90","","113.907","0.012","90","","746.5","0.3","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","ethylenediamonium lead iodide","","","- C2 H12 I4 N2 O2 Pb -","- C2 H12 I4 N2 O2 Pb -","- C4 H24 I8 N4 O4 Pb2 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0692","0.0605","","","0.1326","0.1332","","","","3.61","3.61","3.36","","","","has coordinates","242094","2020-10-21","18:00:00",""
"4132053","6.343","0.003","6.343","0.003","6.34","0.003","90","","90","","90","","255.1","0.2","293","","293","","","","","","","","","5","P 4 m m","P 4 -2","99","44% ethylenediamonium methylamonium lead iodide","","","- C H6 I3 N Pb0.815 -","- C H6 I3 N Pb0.815 -","- C H6 I3 N Pb0.815 -","1","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0684","0.0433","","","0.065","0.0691","","","","1.26","1.26","1.11","","","","has coordinates","242095","2020-10-21","18:00:00",""
"4132054","6.342","0.003","6.342","0.003","6.342","0.003","90","","90","","90","","255.1","0.2","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","44% ethylenediamonium methylamonium lead iodide","","","- C H0 I3 N Pb0.818 -","- C I3 N0.9996 Pb0.818 -","- C I3 N0.9996 Pb0.818 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0425","0.0368","","","0.0754","0.076","","","","2.37","2.37","2.26","","","","has coordinates","242096","2020-10-21","18:00:00",""
"4132055","6.3338","0.0018","6.3338","0.0018","6.3338","0.0018","90","","90","","90","","254.09","0.13","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","29% ethylenediamonium methylamonium lead iodide","","","- C H0 I3 N Pb0.854 -","- C I3 N0.9996 Pb0.854 -","- C I3 N0.9996 Pb0.854 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0464","0.0442","","","0.0947","0.0948","","","","2.89","2.89","2.8","","","","has coordinates","242097","2020-10-21","18:00:00",""
"4132056","6.3663","0.0019","6.3663","0.0019","6.3663","0.0019","90","","90","","90","","258.02","0.13","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","27% ethylenediamonium formamidinium lead iodide","","","- C H0 I3 N2 Pb0.946 -","- C I3 N2.0004 Pb0.95 -","- C I3 N2.0004 Pb0.95 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0752","0.0705","","","0.1613","0.1614","","","","4.47","4.47","4.15","","","","has coordinates","242098","2020-10-21","18:00:00",""
"4132057","6.3361","0.0017","6.3361","0.0017","6.329","0.002","90","","90","","90","","254.09","0.13","293","","293","","","","","","","","","5","P 4 m m","P 4 -2","99","29% ethylenediamonium methylamonium lead iodide","","","- C H6 I3 N Pb0.847 -","- C H6 I3 N Pb0.847 -","- C H6 I3 N Pb0.847 -","1","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0574","0.0461","","","0.1022","0.1031","","","","2.12","2.12","1.75","","","","has coordinates","242099","2020-10-21","18:00:00",""
"4132058","12.3598","0.0005","8.1021","0.0003","14.4042","0.0005","90","","104.805","0.004","90","","1394.55","0.09","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0761","0.0485","","","0.1087","0.1232","","","","","","1.011","","","","has coordinates","242100","2020-10-21","18:00:00",""
"4132059","13.46881","0.00019","23.5381","0.0003","14.6728","0.0002","90","","96.9576","0.0013","90","","4617.47","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H55 Cl3 N2 Ni -","- C55 H55 Cl3 N2 Ni -","- C220 H220 Cl12 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.044","0.0392","","","0.1044","0.1085","","","","","","1.03","","","","has coordinates,has disorder","242101","2020-10-21","18:00:00",""
"4132060","11.672","0.0004","18.1421","0.0005","18.3663","0.0005","90","","90","","90","","3889.1","0.2","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N2 -","- C49 H48 N2 -","- C196 H192 N8 -","4","1","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0846","0.0515","","","0.1073","0.1166","","","","","","0.896","","","","has coordinates","242102","2020-10-21","18:00:00",""
"4132061","17.77519","0.00018","19.4896","0.0002","16.16113","0.00019","90","","90","","90","","5598.72","0.1","100","0.1","100","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H52 Au Cl N2 -","- C59 H52 Au Cl N2 -","- C236 H208 Au4 Cl4 N8 -","4","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0236","0.023","","","0.0595","0.0599","","","","","","1.033","","","","has coordinates","242103","2020-10-21","18:00:00",""
"4132062","12.34517","0.00016","21.7875","0.0003","22.0081","0.0003","90","","98.0106","0.0012","90","","5861.77","0.14","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H65 Cl N2 Ni -","- C71 H65 Cl N2 Ni -","- C284 H260 Cl4 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.055","0.0491","","","0.1261","0.1323","","","","","","1.018","","","","has coordinates","242104","2020-10-21","18:00:00",""
"4132063","15.8368","0.0006","11.3047","0.0003","14.2276","0.0005","90","","114.29","0.004","90","","2321.68","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H52 Au Cl5 N2 -","- C51 H52 Au Cl5 N2 -","- C102 H104 Au2 Cl10 N4 -","2","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0531","0.0531","","","0.1463","0.1463","","","","","","1.074","","","","has coordinates","242105","2020-10-21","18:00:00",""
"4132064","8.6511","0.0003","22.3002","0.0009","12.8632","0.0006","90","","95.8418","0.0019","90","","2468.7","0.17","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Fe P -","- C26 H43 Fe P -","- C104 H172 Fe4 P4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0316","0.0272","","","0.0677","0.0703","","","","","","1.055","","","","has coordinates","242106","2020-10-21","18:00:00",""
"4132065","15.6114","0.0011","26.303","0.002","16.3706","0.0012","90","","90.023","0.001","90","","6722.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Fe N2 P Si -","- C32 H57 Fe N2 P Si -","- C256 H456 Fe8 N16 P8 Si8 -","8","2","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.086","0.0592","","","0.1238","0.1419","","","","","","1.024","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132066","10.3308","0.0012","10.7423","0.0012","13.3532","0.0015","77.326","0.002","83.547","0.002","74.207","0.002","1389","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H43 Fe N2 P Si -","- C29 H43 Fe N2 P Si -","- C58 H86 Fe2 N4 P2 Si2 -","2","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0272","0.0257","","","0.0645","0.066","","","","","","1.061","","","","has coordinates","242108","2020-10-21","18:00:00",""
"4132067","27.887","0.003","11.5982","0.0013","11.5654","0.001","90","","90","","90","","3740.7","0.7","100","2","99.99","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41.01 H60.01 Fe P Si -","- C41 H60 Fe P Si -","- C164 H240 Fe4 P4 Si4 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.1106","0.0657","","","0.0973","0.1075","","","","","","1.13","","","","has coordinates,has disorder","242109","2020-10-21","18:00:00",""
"4132068","12.1407","0.0009","10.2012","0.0007","26.3408","0.0019","90","","90.418","0.005","90","","3262.2","0.4","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Fe P Si -","- C32 H57 Fe P Si -","- C128 H228 Fe4 P4 Si4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0774","0.0634","","","0.1493","0.157","","","","","","1.164","","","","has coordinates","242110","2020-10-21","18:00:00",""
"4132069","14.0318","0.0003","15.674","0.0003","33.3126","0.0006","90","","90","","90","","7326.6","0.2","100","2","100.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H118 Fe2 P2 Si2 -","- C82 H118 Fe2 P2 Si2 -","- C328 H472 Fe8 P8 Si8 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0481","0.0353","","","0.0845","0.0916","","","","","","1.036","","","","has coordinates,has disorder","242111","2020-10-21","18:00:00",""
"4132070","13.9333","0.0008","12.3236","0.0006","16.8031","0.0009","90","","109.674","0.002","90","","2716.8","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 N O3 P Pd -","- C29 H34 N O3 P Pd -","- C116 H136 N4 O12 P4 Pd4 -","4","1","","Zhu, Ru-Yi; Li, Zi-Qi; Park, Han Seul; Senanayake, Chris H.; Yu, Jin-Quan","Ligand-Enabled γ-C(sp<sup>3</sup>)-H Activation of Ketones.","Journal of the American Chemical Society","2018","140","10","3564","3568","10.1021/jacs.8b01359","","x-ray","0.71073","MoKα","","0.0293","0.0221","","","0.049","0.0524","","","","","","1.039","","","","has coordinates","242112","2020-10-21","18:00:00",""
"4132071","8.1391","0.0003","18.5972","0.0008","16.2536","0.0007","90","","101.985","0.003","90","","2406.59","0.17","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Au F9 I N3 O4 S2 -","- C18 H10 Au F9 I N3 O4 S2 -","- C72 H40 Au4 F36 I4 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0367","0.0247","","","0.0424","0.0452","","","","","","1.014","","","","has coordinates","242113","2020-10-21","18:00:00",""
"4132072","11.0172","0.0003","8.4253","0.0002","27.8416","0.0007","90","","100.394","0.0018","90","","2541.94","0.11","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Au F8 I2 N3 O4 S2 -","- C18 H10 Au F8 I2 N3 O4 S2 -","- C72 H40 Au4 F32 I8 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0504","0.0336","","","0.0581","0.0622","","","","","","1.048","","","","has coordinates","242114","2020-10-21","18:00:00",""
"4132073","9.7482","0.0004","18.0342","0.0006","20.0241","0.0007","92.573","0.002","102.927","0.002","95.368","0.002","3408.1","0.2","101","2","101.13","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 Au F8 I N3 O4 S2 -","- C31 H23 Au F8 I N3 O4 S2 -","- C124 H92 Au4 F32 I4 N12 O16 S8 -","4","2","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0303","0.0233","","","0.0453","0.0469","","","","","","1.011","","","","has coordinates,has disorder","242115","2020-10-21","18:00:00",""
"4132074","8.1314","0.0003","14.0057","0.0006","17.569","0.0007","90","","90.71","0.002","90","","2000.71","0.14","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Au F8 N3 O4 S2 -","- C14 H10 Au F8 N3 O4 S2 -","- C56 H40 Au4 F32 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0204","0.0179","","","0.0451","0.0462","","","","","","1.065","","","","has coordinates,has disorder","242116","2020-10-21","18:00:00",""
"4132075","14.6761","0.0003","10.1045","0.0002","16.7196","0.0003","90","","108.482","0.001","90","","2351.54","0.08","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Au F8 I N3 O4 S3 -","- C16 H9 Au F8 I N3 O4 S3 -","- C64 H36 Au4 F32 I4 N12 O16 S12 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0264","0.0208","","","0.0435","0.0451","","","","","","1.022","","","","has coordinates,has disorder","242117","2020-10-21","18:00:00",""
"4132076","8.2089","0.0002","16.0113","0.0004","19.2265","0.0004","90","","97.1398","0.0013","90","","2507.44","0.1","100","2","100.04","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Au Cl F8 I N3 O4 S2 -","- C18 H10 Au Cl F8 I N3 O4 S2 -","- C72 H40 Au4 Cl4 F32 I4 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0259","0.0201","","","0.0398","0.0414","","","","","","1.042","","","","has coordinates","242118","2020-10-21","18:00:00",""
"4132077","8.1277","0.0003","12.1214","0.0004","12.9584","0.0004","102.843","0.0018","96.108","0.002","91.9896","0.0019","1235.4","0.07","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H13 Au F8 I N3 O5 S2 -","- C19 H13 Au F8 I N3 O5 S2 -","- C38 H26 Au2 F16 I2 N6 O10 S4 -","2","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0246","0.0222","","","0.0559","0.057","","","","","","1.041","","","","has coordinates","242119","2020-10-21","18:00:00",""
"4132078","28.2502","0.0004","12.9485","0.0001","28.5346","0.0004","90","","117.361","0.002","90","","9270.2","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H66 Cl13 Ir N2 O7 P2 -","- C87 H66 Cl13 Ir N2 O7 P2 -","- C348 H264 Cl52 Ir4 N8 O28 P8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0808","0.0739","","","0.2376","0.2433","","","","","","1.583","","","","has coordinates,has disorder","242120","2020-10-21","18:00:00",""
"4132079","5.1673","0.0001","8.8734","0.0001","46.1987","0.0004","90","","90","","90","","2118.28","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N O2 -","- C25 H24 Br N O2 -","- C100 H96 Br4 N4 O8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0519","0.0514","","","0.129","0.1293","","","","","","1.221","","","","has coordinates,has disorder","242121","2020-10-21","18:00:00",""
"4132080","5.0689","0.0001","35.6007","0.0008","6.3931","0.0002","90","","110.04","0.001","90","","1083.82","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","- C48 H48 Cl4 N4 O8 -","2","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0494","0.0469","","","0.1384","0.1402","","","","","","1.124","","","","has coordinates","242122","2020-10-21","18:00:00",""
"4132081","4.641","0.002","8.2418","0.0017","14.425","0.004","79.39","0.019","83.33","0.03","88.51","0.02","538.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","GEP1","","","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0354","0.0346","","","0.093","0.0936","","","","","","1.066","","","","has coordinates","242123","2020-10-21","18:00:00",""
"4132082","5.1899","0.0003","6.6276","0.0004","18.7943","0.0011","94.542","0.001","95.57","0.001","108.608","0.001","605.6","0.06","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0329","0.0328","","","0.0823","0.0823","","","","","","1.142","","","","has coordinates","242124","2020-10-21","18:00:00",""
"4132083","5.2089","0.0003","6.3003","0.0004","20.6203","0.0014","83.772","0.003","86.99","0.003","69.934","0.003","631.8","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","GEP2","","","- C24 H6 Cl2 F18 N2 O4 -","- C24 H6 Cl2 F18 N2 O4 -","- C24 H6 Cl2 F18 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.043","0.0415","","","0.1123","0.1132","","","","","","1.192","","","","has coordinates","242125","2020-10-21","18:00:00",""
"4132084","12.0361","0.0009","16.7027","0.0012","5.9578","0.0005","90","","104.27","0.004","90","","1160.77","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","GEP7 phase 2","","","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","- C44 H12 Br4 F28 N4 O8 -","2","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0385","0.0372","","","0.0928","0.0942","","","","","","1.09","","","","has coordinates","242126","2020-10-21","18:00:00",""
"4132085","11.1186","0.0005","15.8136","0.0008","23.5352","0.0012","73.085","0.004","86.315","0.004","69.691","0.004","3709.8","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H107 K N12 Ni4 O3 -","- C78 H107 K N12 Ni4 O3 -","- C156 H214 K2 N24 Ni8 O6 -","2","1","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.1098","0.0513","","","0.0978","0.1141","","","","","","0.863","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132086","11.2912","0.0002","25.8683","0.0004","27.1074","0.0004","90","","90","","90","","7917.6","0.2","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C79 H117 K N6 Ni2 O13 -","- C79 H117 K N6 Ni2 O13 -","- C316 H468 K4 N24 Ni8 O52 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.06","0.0418","","","0.0994","0.1144","","","","","","1.114","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132087","17.3032","0.0005","14.2469","0.0004","17.1692","0.0005","90","","113.291","0.002","90","","3887.6","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N6 Ni2 O2.5 -","- C41 H57 N6 Ni2 O2.5 -","- C164 H228 N24 Ni8 O10 -","4","1","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.0477","0.0347","","","0.0776","0.0817","","","","","","1.027","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132088","18.5261","0.0008","16.442","0.0007","13.6294","0.0006","90","","118.32","0.003","90","","3654.7","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H54 N6 Ni2 O -","- C39 H54 N6 Ni2 O -","- C156 H216 N24 Ni8 O4 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.0308","0.0267","","","0.0719","0.0736","","","","","","1.057","","","","has coordinates","242127","2020-10-21","18:00:00",""
"4132089","64.922","0.0017","38.8988","0.0009","43.3302","0.0012","90","","93.821","0.002","90","","109182","5","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C700 H862 N173 O140 P8 -","- C798 H390 N177 O140 P8 -","- C3192 H1560 N708 O560 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.1827","0.1355","","","0.3429","0.3901","","","","","","1.199","","","","has coordinates,has disorder","242128","2020-10-21","18:00:00",""
"4132090","24.088","0.0006","60.3283","0.0014","67.581","0.003","90","","90","","90","","98208","5","100","2","100.15","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C177.96 H221.9 N43.99 O40 P2 -","- C173.952 H191.88 N43.494 O40 P2 -","- C2783.23 H3070.08 N695.904 O640 P32 -","16","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.1212","0.1017","","","0.2761","0.2891","","","","","","1.132","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132091","43.47","0.003","39.035","0.003","58.398","0.005","90","","98.34","0.003","90","","98045","13","153","2","152.99","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C676.5 H419.5 K7 N157.25 O164 P8 -","- C676.615 H419.537 K7 N157.436 O164 P8 -","- C2706.46 H1678.15 K28 N629.743 O656 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.2138","0.1407","","","0.3616","0.4381","","","","","","1.108","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132092","10.193","0.0002","7.5099","0.0002","13.7839","0.0002","90","","103.819","0.002","90","","1024.59","0.04","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H19 Br F3 N O2 S2 -","- C19 H19 Br F3 N O2 S2 -","- C38 H38 Br2 F6 N2 O4 S4 -","2","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","x-ray","1.54184","CuKα","","0.0622","0.0612","","","0.196","0.1972","","","","","","1.122","","","","has coordinates","242129","2020-10-21","18:00:00",""
"4132093","5.6971","0.0002","7.5256","0.0002","37.5923","0.0009","90","","90","","90","","1611.74","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F4 S -","- C18 H18 F4 S -","- C72 H72 F16 S4 -","4","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","","1.54178","CuKα","","0.0415","0.0407","","","0.1094","0.11","","","","","","1.093","","","","has coordinates","242130","2020-10-21","18:00:00",""
"4132094","27.0451","0.0015","8.1328","0.0004","8.4296","0.0004","90","","90.081","0.004","90","","1854.11","0.16","298.15","","298.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","tetra(butylammonium) octabromoargentobismuthate","","- C16 H48 Ag Bi Br8 N4 -","- C16 H48 Ag Bi Br8 N4 -","- C32 H96 Ag2 Bi2 Br16 N8 -","2","0.25","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.9919","synchrotron","","0.0431","0.0366","","","0.0915","0.0977","","","","","","1.167","","","","has coordinates,has disorder","242134","2020-10-21","18:00:00",""
"4132095","8.014","0.0004","7.8357","0.0003","19.6573","0.0009","90","","101.737","0.002","90","","1208.58","0.09","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0236","0.0224","","","0.0498","0.0503","","","","","","1.079","","","","has coordinates","242136","2020-10-21","18:00:00",""
"4132096","8.0848","0.0003","7.9801","0.0003","19.8422","0.0008","90","","101.755","0.002","90","","1253.32","0.08","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0317","0.0275","","","0.0646","0.0669","","","","","","1.087","","","","has coordinates,has disorder","242138","2020-10-21","18:00:00",""
"4132097","8.1896","0.0004","8.0524","0.0004","26.779","0.0014","90","","90.049","0.003","90","","1765.97","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra(butylammonium) octabromoargentobismuthate","","- C16 H48 Ag Bi Br8 N4 -","- C16 H48 Ag Bi Br8 N4 -","- C32 H96 Ag2 Bi2 Br16 N8 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0413","0.0351","","","0.0672","0.0694","","","","","","1.103","","","","has coordinates","242139","2020-10-21","18:00:00",""
"4132098","10.9576","0.0008","20.9044","0.0018","8.4845","0.0006","90","","100.185","0.004","90","","1912.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","2","","Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier","Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization.","Journal of the American Chemical Society","2018","140","15","5009","5013","10.1021/jacs.8b01544","","","0.71073","MoKα","","0.0769","0.0441","","","0.0908","0.1048","","","","","","1.018","","","","has coordinates","242140","2020-10-21","18:00:00",""
"4132099","7.3408","0.0003","11.2168","0.0005","14.4712","0.0007","102.926","0.002","91.521","0.002","98.753","0.002","1145.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O10 -","- C26 H18 N2 O10 -","- C52 H36 N4 O20 -","2","1","","Hou, Jing; Ee, Aloysius; Feng, Wei; Xu, Jin-Hui; Zhao, Yu; Wu, Jie","Visible-Light-Driven Alkyne Hydro-/Carbocarboxylation Using CO<sub>2</sub> via Iridium/Cobalt Dual Catalysis for Divergent Heterocycle Synthesis.","Journal of the American Chemical Society","2018","140","15","5257","5263","10.1021/jacs.8b01561","","","1.54178","CuKα","","0.0383","0.031","","","0.0742","0.0835","","","","","","1.048","","","","has coordinates","242141","2020-10-21","18:00:00",""
"4132100","22.7031","0.0011","5.8682","0.0004","16.6098","0.0008","90","","107.064","0.005","90","","2115.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H23 Br N2 -","- C26 H23 Br N2 -","- C104 H92 Br4 N8 -","4","1","","Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","19","6083","6087","10.1021/jacs.8b01575","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.0975","0.1021","","","","","","1.076","","","","has coordinates","242143","2020-10-21","18:00:00",""
"4132101","8.1385","0.0002","11.9075","0.0004","18.1107","0.0006","90","","95.295","0.001","90","","1747.6","0.09","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ru-PD","","","- C11 H19 Cl N O9 Ru2 -","- C11 H19 Cl N O9 Ru2 -","- C44 H76 Cl4 N4 O36 Ru8 -","4","1","","Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin","Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","16","5326","5329","10.1021/jacs.8b01601","","x-ray","0.41328","","","0.028","0.0279","","","0.0743","0.0744","","","","","","1.106","","","","has coordinates","242144","2020-10-21","18:00:00",""
"4132102","8.7321","0.0011","21.947","0.003","22.807","0.003","90.743","0.002","93.98","0.003","92.211","0.003","4356.5","1","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H31 N5 O11 Ru3 -","- C51 H31 N5 O11 Ru3 -","- C102 H62 N10 O22 Ru6 -","2","1","","Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin","Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","16","5326","5329","10.1021/jacs.8b01601","","","0.41328","","","0.1599","0.1478","","","0.4131","0.4295","","","","","","1.864","","","","has coordinates","242145","2020-10-21","18:00:00",""
"4132103","43.3239","0.0011","25.6455","0.0009","10.7279","0.0003","90","","90","","90","","11919.4","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C68 H79 N5 O6 -","- C68 H79 N5 O6 -","- C544 H632 N40 O48 -","8","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1096","0.089","","","0.1752","0.1858","","","","","","1.124","","","","has coordinates,has disorder","242146","2020-10-21","18:00:00",""
"4132104","9.6022","0.0002","17.0018","0.0002","17.6771","0.0003","90","","102.232","0.002","90","","2820.35","0.09","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H63 N11 O7 -","- C63 H63 N11 O7 -","- C126 H126 N22 O14 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.0586","0.0478","","","0.0917","0.097","","","","","","1.017","","","","has coordinates","242147","2020-10-21","18:00:00",""
"4132105","9.0601","0.0002","10.8306","0.0002","27.6685","0.0005","100.369","0.002","93.561","0.002","99.092","0.002","2625.63","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H71 N5 O4 -","- C64 H71 N5 O4 -","- C128 H142 N10 O8 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","1.54184","CuKα","","0.046","0.0382","","","0.0927","0.0978","","","","","","1.032","","","","has coordinates","242148","2020-10-21","18:00:00",""
"4132106","11.0999","0.0001","20.1467","0.0002","24.9074","0.0003","84.847","0.001","81.686","0.001","74.103","0.001","5293.25","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H65 N9 O4 -","- C62 H65 N9 O4 -","- C248 H260 N36 O16 -","4","2","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1001","0.0689","","","0.1278","0.141","","","","","","1.076","","","","has coordinates","242149","2020-10-21","18:00:00",""
"4132107","16.0021","0.0006","20.8606","0.0006","20.1134","0.0007","90","","100.792","0.004","90","","6595.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H62 Cl6 N16 O4 -","- C67 H62 Cl6 N16 O4 -","- C268 H248 Cl24 N64 O16 -","4","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1597","0.1127","","","0.2785","0.3109","","","","","","1.068","","","","has coordinates","242150","2020-10-21","18:00:00",""
"4132108","19.379","0.004","5.3296","0.0005","15.117","0.003","90","","111.02","0.02","90","","1457.4","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 O2 Si -","- C15 H18 O2 Si -","- C60 H72 O8 Si4 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","1.54184","CuKα","","0.1107","0.1014","","","0.2625","0.2829","","","","","","1.18","","","","has coordinates","242151","2020-10-21","18:00:00",""
"4132109","10.363","0.0004","19.5669","0.0007","20.1438","0.0007","90","","90","","90","","4084.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H43 Cl2 Fe N3 O2 -","- C46 H43 Cl2 Fe N3 O2 -","- C184 H172 Cl8 Fe4 N12 O8 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","0.71073","MoKα","","0.0486","0.0377","","","0.086","0.0943","","","","","","1.029","","","","has coordinates","242152","2020-10-21","18:00:00",""
"4132110","13.6131","0.0003","18.1837","0.0004","19.2192","0.0004","101.101","0.001","110.003","0.001","92.825","0.001","4352.48","0.17","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N6 O17.5 P2 -","- C37 H57 N6 O17.5 P2 -","- C148 H228 N24 O70 P8 -","4","2","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.0988","0.0675","","","0.1759","0.2023","","","","","","1.028","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4132111","8.8956","0.0002","11.9078","0.0003","21.3431","0.0005","87.772","0.001","84.389","0.001","73.354","0.001","2155.55","0.09","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 F12 N8 O3 P2 -","- C40 H44 F12 N8 O3 P2 -","- C80 H88 F24 N16 O6 P4 -","2","1","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.0398","0.0377","","","0.0999","0.1016","","","","","","1.022","","","","has coordinates","242154","2020-10-21","18:00:00",""
"4132112","44.7259","0.0013","26.8344","0.0009","13.927","0.0004","90","","90","","90","","16715.1","0.9","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H32 Cl2 N6 O2 -","- C34 H32 Cl2 N6 O2 -","- C544 H512 Cl32 N96 O32 -","16","4","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.1465","0.0923","","","0.2626","0.3074","","","","","","0.989","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132113","12.3237","0.0006","13.4102","0.0007","13.7397","0.0006","74.526","0.004","85.761","0.003","67.151","0.003","2015.52","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 N6 O6 S -","- C35 H34 N6 O6 S -","- C70 H68 N12 O12 S2 -","2","1","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.2012","0.1579","","","0.4367","0.4692","","","","","","1.67","","","","has coordinates,has disorder","242156","2020-10-21","18:00:00",""
"4132114","19.6959","0.0005","6.9198","0.0002","21.5771","0.0006","90","","114.912","0.001","90","","2667.16","0.13","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4ca","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C104 H136 Cl8 O24 S8 -","8","2","","Li, Zhen; Jangra, Harish; Chen, Quan; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones.","Journal of the American Chemical Society","2018","140","16","5500","5515","10.1021/jacs.8b01657","","","0.71073","MoKα","","0.0438","0.0324","","","0.0736","0.0803","","","","","","1.066","","","","has coordinates","242157","2020-10-21","18:00:00",""
"4132115","8.3662","0.0004","11.0924","0.0005","8.7666","0.0004","90","","111.045","0.001","90","","759.29","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C30 H40 Br2 N2 O4 -","2","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0201","0.02","","","0.0513","0.0514","","","","","","1.032","","","","has coordinates","242158","2020-10-21","18:00:00",""
"4132116","6.4315","0.0002","10.2343","0.0003","22.1045","0.0006","90","","90","","90","","1454.96","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0268","0.0258","","","0.0648","0.0655","","","","","","1.049","","","","has coordinates","242159","2020-10-21","18:00:00",""
"4132117","35.454","0.007","33.3","0.006","15.96","0.003","90","","92.846","0.002","90","","18819","6","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192 H196 As5 Au6 Cl F30 P12 -","- C192 H196 As5 Au6 Cl F30 P12 -","- C768 H784 As20 Au24 Cl4 F120 P48 -","4","0.5","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0613","0.0431","","","0.0926","0.0999","","","","","","1.086","","","","has coordinates,has disorder","242160","2020-10-21","18:00:00",""
"4132118","15.7952","0.0019","33.133","0.004","19.067","0.002","90","","111.302","0.002","90","","9296.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","[Au6Cl(box)](PF6)5.toluene","","","- C150 H148 Au6 Cl F30 P17 -","- C150 H148 Au6 Cl F30 P17 -","- C300 H296 Au12 Cl2 F60 P34 -","2","0.25","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.7749","synchrotron","","0.0673","0.0543","","","0.1492","0.161","","","","","","1.066","","","","has coordinates","242161","2020-10-21","18:00:00",""
"4132119","35.3414","0.0019","33.4913","0.0016","16.0576","0.0008","90","","92.322","0.001","90","","18990.6","1.7","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Au6(triphos)4](SbF6)5Cl.(toluene)7","","","- C185 H188 Au6 Cl F30 P12 Sb5 -","- C185 H188 Au6 Cl F30 P12 Sb5 -","- C740 H752 Au24 Cl4 F120 P48 Sb20 -","4","0.5","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0545","0.0387","","","0.0856","0.0922","","","","","","1.078","","","","has coordinates,has disorder","242162","2020-10-21","18:00:00",""
"4132120","13.9411","0.0007","16.4211","0.0008","21.984","0.002","101.193","0.002","98.197","0.002","96.808","0.002","4830.9","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Au3(triphos)2](Otf)3 4toluene, H2O","","","- C99 H100 Au3 F9 O10 P6 S3 -","- C99 H100 Au3 F9 O10 P6 S3 -","- C198 H200 Au6 F18 O20 P12 S6 -","2","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0263","0.0228","","","0.0536","0.0549","","","","","","1.021","","","","has coordinates,has disorder","242163","2020-10-21","18:00:00",""
"4132121","25.058","0.002","13.8613","0.0013","42.523","0.004","90","","91.158","0.0013","90","","14767","2","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C139 H132 Au6 Cl F30 O3 P17 -","- C139 H132 Au6 Cl F30 O3 P17 -","- C556 H528 Au24 Cl4 F120 O12 P68 -","4","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0854","0.0798","","","0.1921","0.1949","","","","","","1.098","","","","has coordinates","242164","2020-10-21","18:00:00",""
"4132122","19.4006","0.001","25.4448","0.0014","25.5338","0.0012","90","","90","","90","","12604.6","1.1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H83 F7 N O4 P Pd S -","- C63 H83 F7 N O4 P Pd S -","- C504 H664 F56 N8 O32 P8 Pd8 S8 -","8","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common Soluble Base in C-N Coupling.","Journal of the American Chemical Society","2018","140","13","4721","4725","10.1021/jacs.8b01696","","","1.54178","CuKα","","0.1013","0.0542","","","0.1291","0.1626","","","","","","1.029","","","","has coordinates,has disorder","242165","2020-10-21","18:00:00",""
"4132123","11.5544","0.0018","6.1514","0.0009","25.784","0.004","90","","93.021","0.008","90","","1830.1","0.5","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 Si -","- C18 H23 N3 O2 Si -","- C72 H92 N12 O8 Si4 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","0.71073","MoKα","","0.0616","0.0402","","","0.0883","0.0979","","","","","","1.04","","","","has coordinates","242169","2020-10-21","18:00:00",""
"4132124","5.9911","0.0004","14.3103","0.0011","18.8938","0.0013","90","","90","","90","","1619.8","0.2","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwh-4-1178","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","1.54178","CuKα","","0.0631","0.0618","","","0.1469","0.1478","","","","","","1.052","","","","has coordinates","242170","2020-10-21","18:00:00",""
"4132125","10.7015","0.0003","22.7815","0.0005","11.3703","0.0003","90","","102.692","0.001","90","","2704.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 B10 O -","- C9 H14 B10 O -","- C72 H112 B80 O8 -","8","4","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.54178","CuKα","","0.1112","0.0846","","","0.2008","0.2223","","","","","","1.017","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132126","9.104","0.003","7.3271","0.0016","11.901","0.003","90","","106.709","0.01","90","","760.3","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","0.71073","MoKα","","0.039","0.0335","","","0.0771","0.0818","","","","","","1.071","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132127","9.1291","0.0005","7.3414","0.0004","11.9192","0.0005","90","","106.522","0.002","90","","765.85","0.07","301","2","300.67","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.34139","GaKα","","0.0616","0.0429","","","0.1121","0.1236","","","","","","1.033","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132128","18.838","0.004","7.8317","0.0016","23.075","0.005","90","","93","0.03","90","","3399.7","1.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,6-diClres, 2-pyr-4-ppyr","4,6-dichlororesorcinol, trans-1-(2-pyridyl)-2-(4-(4-phenyl)pyridyl)ethylene)","","- C42 H32 Cl2 N4 O2 -","- C42 H32 Cl2 N4 O2 -","- C168 H128 Cl8 N16 O8 -","4","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.103","0.0609","","","0.0934","0.1046","","","","","","1.1","","","","has coordinates","242172","2020-10-21","18:00:00",""
"4132129","11.06","0.002","11.18","0.002","21.621","0.004","85.64","0.03","80.41","0.03","65.33","0.03","2395.4","1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","4,6-diClres, 2-pyr-4-ppyr","4,6-dichlororesorcinol, trans-1-(2-pyridyl)-2-(4-(4-phenyl)pyridyl)ethylene)","","- C54 H40 Cl6 N4 O6 -","- C54 H40 Cl6 N4 O6 -","- C108 H80 Cl12 N8 O12 -","2","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.0817","0.0432","","","0.0777","0.0895","","","","","","1.015","","","","has coordinates","242172","2020-10-21","18:00:00",""
"4132130","14.24","0.003","16.4","0.003","17.079","0.003","74.866","0.005","84.001","0.005","78.978","0.005","3772.9","1.2","190","2","190.15","","","","","","","","","7","P -1","-P 1","2","[Cu4(2-pyr-4-ppyr-cb)2(hfacac)8].8CHCl3","[Cu4(K2,K1-2-pyr-4-ppyr-cb)]2[hfacac]8.8CHCl3","","- C60 H36 Cl12 Cu2 F24 N4 O8 -","- C60 H36 Cl12 Cu2 F24 N4 O8 -","- C120 H72 Cl24 Cu4 F48 N8 O16 -","2","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.0849","0.0581","","","0.1403","0.153","","","","","","1.062","","","","has coordinates,has disorder","242172","2020-10-21","18:00:00",""
"4132131","10.542","0.005","15.037","0.007","17.602","0.009","80.603","0.014","77.248","0.015","79.736","0.015","2655","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H72 B11 N4 Na O2 Si2 -","- C40 H72 B11 N4 Na O2 Si2 -","- C80 H144 B22 N8 Na2 O4 Si4 -","2","1","","Wang, Hao; Zhang, Jiji; Lee, Hung Kay; Xie, Zuowei","Borylene Insertion into Cage B-H Bond: A Route to Electron-Precise B-B Single Bond.","Journal of the American Chemical Society","2018","140","11","3888","3891","10.1021/jacs.8b01795","","","0.71073","MoKα","","0.1498","0.0885","","","0.2027","0.232","","","","","","1.058","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4132132","13.0602","0.0003","33.657","0.0008","15.015","0.0004","90","","113.3","0.0012","90","","6061.8","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H84 B11 Br N4 Na O2.5 Si2 -","- C49 H84 B11 Br N4 Na O2.5 Si2 -","- C196 H336 B44 Br4 N16 Na4 O10 Si8 -","4","1","","Wang, Hao; Zhang, Jiji; Lee, Hung Kay; Xie, Zuowei","Borylene Insertion into Cage B-H Bond: A Route to Electron-Precise B-B Single Bond.","Journal of the American Chemical Society","2018","140","11","3888","3891","10.1021/jacs.8b01795","","","0.71073","MoKα","","0.1018","0.0672","","","0.1947","0.2191","","","","","","1.057","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4132133","11.1142","0.0004","13.003","0.0005","13.8223","0.0005","66.511","0.004","88.482","0.003","67.769","0.004","1677.58","0.14","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 Cl6 N12 O4 -","- C70 H70 Cl6 N12 O4 -","- C70 H70 Cl6 N12 O4 -","1","0.5","","Kim, Soobin; Castillo, Henry D.; Lee, Milim; Mortensen, Riley D.; Tait, Steven L.; Lee, Dongwhan","From Foldable Open Chains to Shape-Persistent Macrocycles: Synthesis, Impact on 2D Ordering, and Stimulated Self-Assembly.","Journal of the American Chemical Society","2018","140","13","4726","4735","10.1021/jacs.8b01805","","x-ray","0.71073","MoKα","","0.1064","0.0876","","","0.2446","0.2639","","","","","","1.024","","","","has coordinates","242175","2020-10-21","18:00:00",""
"4132134","5.1746","0.0008","8.6038","0.0012","35.456","0.006","90","","90.339","0.008","90","","1578.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","","Bai, Yu-Bin; Luo, Zaigang; Wang, Yuguang; Gao, Jin-Ming; Zhang, Liming","Au-Catalyzed Intermolecular [2+2] Cycloadditions between Chloroalkynes and Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","17","5860","5865","10.1021/jacs.8b01813","","","0.71073","MoKα","","0.0797","0.0484","","","0.095","0.107","","","","","","1.038","","","","has coordinates","242176","2020-10-21","18:00:00",""
"4132135","7.8212","0.0003","15.7879","0.0006","19.7391","0.0007","109.275","0.003","100.01","0.003","91.118","0.003","2257.98","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H32 Cl3 Co N2 P -","- C17.5 H32 Cl3 Co N2 P -","- C70 H128 Cl12 Co4 N8 P4 -","4","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0556","0.0416","","","0.0949","0.1004","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132136","7.6131","0.0015","18.608","0.004","14.78","0.003","90","","98.42","0.03","90","","2071.2","0.8","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Co I2 N2 P -","- C16 H29 Co I2 N2 P -","- C64 H116 Co4 I8 N8 P4 -","4","1","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","","0.71073","MoKα","","0.0253","0.0243","","","0.052","0.0524","","","","","","1.206","","","","has coordinates","242178","2020-10-21","18:00:00",""
"4132137","16.6705","0.0005","8.1102","0.0002","27.7803","0.0007","90","","90","","90","","3755.93","0.17","173","0.1","173","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H27 Cl2 Co N2 P -","- C15 H27 Cl2 Co N2 P -","- C120 H216 Cl16 Co8 N16 P8 -","8","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0793","0.0754","","","0.1912","0.1954","","","","","","1.065","","","","has coordinates","242179","2020-10-21","18:00:00",""
"4132138","13.9796","0.0007","14.563","0.0007","17.6977","0.0007","90","","91.037","0.004","90","","3602.4","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl4 Co2 N4 P2 -","- C28 H50 Cl4 Co2 N4 P2 -","- C112 H200 Cl16 Co8 N16 P8 -","4","1","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0846","0.0649","","","0.1988","0.2123","","","","","","1.106","","","","has coordinates,has disorder","242180","2020-10-21","18:00:00",""
"4132139","12.5224","0.0006","12.8854","0.0006","21.9843","0.0011","93.576","0.002","103.138","0.002","118.4","0.0018","2977.9","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60.51 H40.06 Cl1.01 F9 Fe3 N6 O12 S3 -","- C60.5053 H40.06 Cl1.0106 F9 Fe3 N6 O12 S3 -","- C121.011 H80.12 Cl2.0212 F18 Fe6 N12 O24 S6 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0693","0.0428","","","0.0999","0.1113","","","","","","1.02","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132140","23.4333","0.0011","23.4333","0.0011","9.796","0.0005","90","","90","","120","","4658.5","0.4","100","","100","","","","","","","","","8","P -3","-P 3","147","","","","- C87.5 H64 Cl F9 Fe3 N12 O13 S3 -","- C87.5001 H64.0002 Cl1.0002 F9 Fe3 N12 O13 S3 -","- C175 H128 Cl2.0004 F18 Fe6 N24 O26 S6 -","2","0.333333","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0886","0.0626","","","0.1678","0.1836","","","","","","1.033","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132141","15.486","0.002","15.4964","0.0018","19.448","0.002","100.128","0.002","93.878","0.004","93.078","0.003","4573.6","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C90.6 H68.17 Cl4.26 F6 Fe4 N12 O10.62 S2 -","- C90.601 H68.17 Cl4.266 F6 Fe4 N12 O10.617 S2 -","- C181.202 H136.34 Cl8.532 F12 Fe8 N24 O21.234 S4 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.1245","0.0807","","","0.2239","0.2577","","","","","","1.049","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132142","14.4988","0.0005","45.032","0.002","14.6559","0.0007","90","","106.58","0.002","90","","9171.1","0.7","100","","99.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91.07 H66.15 Cl6.15 F6 Fe4 N12 O12 S2 -","- C91.075 H66.15 Cl6.15 F6 Fe4 N12 O12 S2 -","- C364.3 H264.6 Cl24.6 F24 Fe16 N48 O48 S8 -","4","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","1.54178","CuKα","","0.1225","0.1018","","","0.2745","0.2913","","","","","","1.05","","","","has coordinates","242181","2020-10-21","18:00:00",""
"4132143","40.403","0.004","17.5931","0.0017","25.468","0.003","90","","115.389","0.006","90","","16355","3","100","","100.03","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90.34 H60 F3 Fe4 N14.67 O7 S -","- C90.336 H60 F3 Fe4 N14.668 O7 S -","- C722.688 H480 F24 Fe32 N117.344 O56 S8 -","8","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","1.54178","CuKα","","0.1124","0.0847","","","0.2283","0.2541","","","","","","1.032","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132144","12.349","0.004","15.527","0.007","21.471","0.008","78.351","0.013","79.352","0.012","88.53","0.013","3962","3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H65 F3 Fe4 N15 O8 S -","- C92 H65 F3 Fe4 N15 O8 S -","- C184 H130 F6 Fe8 N30 O16 S2 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.1309","0.0877","","","0.2192","0.2596","","","","","","1.035","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132145","7.5143","0.0003","12.9125","0.0004","13.961","0.0005","90","","90","","90","","1354.61","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C52 H40 N16 O28 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0362","0.0336","","","0.0926","0.0961","","","","","","1.059","","","","has coordinates","242185","2020-10-21","18:00:00",""
"4132146","9.2706","0.0003","17.6938","0.0007","9.5355","0.0003","90","","115.51","0.002","90","","1411.64","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N3 -","- C15 H27 N3 -","- C60 H108 N12 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0845","0.0592","","","0.1352","0.1458","","","","","","1.089","","","","has coordinates","242187","2020-10-21","18:00:00",""
"4132147","7.241","0.004","16.788","0.009","30.202","0.015","90","","90","","90","","3671","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.0998","0.0828","","","0.2006","0.2174","","","","","","1.077","","","","has coordinates,has disorder","242189","2020-10-21","18:00:00",""
"4132148","30.8426","0.0013","15.9684","0.0006","7.0861","0.0004","90","","90","","90","","3490","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H14 Cu F15 N6 -","- C41 H14 Cu F15 N6 -","- C164 H56 Cu4 F60 N24 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1046","0.0734","","","0.1605","0.1759","","","","","","1.071","","","","has coordinates","242191","2020-10-21","18:00:00",""
"4132149","15.3803","0.0004","16.8229","0.0005","16.9418","0.0005","66.502","0.003","77.999","0.003","76.171","0.003","3872.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H36 Cu2 F30 N8 O2 -","- C82 H36 Cu2 F30 N8 O2 -","- C164 H72 Cu4 F60 N16 O4 -","2","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1212","0.0863","","","0.2182","0.2427","","","","","","1.013","","","","has coordinates,has disorder","242192","2020-10-21","18:00:00",""
"4132150","16.0453","0.0011","11.7131","0.0008","19.0503","0.0013","90","","93.4712","0.0017","90","","3573.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Sn2 -","- C76 H92 Sn2 -","- C152 H184 Sn4 -","2","0.5","","Lai, Ting Yi; Fettinger, James C.; Power, Philip P.","Facile C-H Bond Metathesis Mediated by a Stannylene.","Journal of the American Chemical Society","2018","140","17","5674","5677","10.1021/jacs.8b01878","","","0.71073","MoKα","","0.0491","0.0416","","","0.1021","0.1053","","","","","","1.105","","","","has coordinates,has disorder","242193","2020-10-21","18:00:00",""
"4132151","11.7763","0.0007","12.8319","0.0007","13.7749","0.0008","110.615","0.0008","101.716","0.0008","96.648","0.0008","1867.42","0.19","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H104 Sn2 -","- C88 H104 Sn2 -","- C88 H104 Sn2 -","1","0.5","","Lai, Ting Yi; Fettinger, James C.; Power, Philip P.","Facile C-H Bond Metathesis Mediated by a Stannylene.","Journal of the American Chemical Society","2018","140","17","5674","5677","10.1021/jacs.8b01878","","","0.71073","MoKα","","0.0261","0.0235","","","0.0597","0.0608","","","","","","1.054","","","","has coordinates,has disorder","242194","2020-10-21","18:00:00",""
"4132152","6.4708","0.0001","20.0417","0.0004","7.2325","0.0002","90","","107.489","0.001","90","","894.6","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Zhang, Hai-Jun; Schuppe, Alexander W.; Pan, Shi-Tao; Chen, Jin-Xiang; Wang, Bo-Ran; Newhouse, Timothy R.; Yin, Liang","Copper-Catalyzed Vinylogous Aerobic Oxidation of Unsaturated Compounds with Air.","Journal of the American Chemical Society","2018","140","15","5300","5310","10.1021/jacs.8b01886","","","1.54178","CuKα","","0.039","0.0386","","","0.1089","0.1093","","","","","","1.066","","","","has coordinates","242195","2020-10-21","18:00:00",""
"4132153","7.235","0.0002","11.4719","0.0004","14.8725","0.0005","90","","95.298","0.002","90","","1229.13","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.054","0.0438","","","0.1055","0.114","","","","","","1.045","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132154","7.6302","0.0006","8.8519","0.0006","12.7508","0.0009","87.503","0.006","87.653","0.006","87.251","0.006","858.75","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0503","0.0397","","","0.0951","0.1023","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132155","7.6671","0.0006","8.3382","0.0006","23.4368","0.0018","90","","90","","90","","1498.3","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0383","0.0326","","","0.0789","0.0825","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132156","8.9536","0.0005","13.8303","0.0007","13.3248","0.0006","90","","94.6825","0.0016","90","","1644.52","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.049","0.0378","","","0.0915","0.0984","","","","","","1.029","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132157","11.5962","0.0005","14.1871","0.0007","21.2925","0.0009","90","","90","","90","","3503","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0562","0.0425","","","0.0997","0.1077","","","","","","1.062","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132158","7.6612","0.0004","20.3093","0.0009","10.7852","0.0005","90","","90.6667","0.0015","90","","1677.99","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0625","0.0419","","","0.0934","0.1013","","","","","","1.053","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132159","16.1951","0.0007","8.3508","0.0004","13.1442","0.0006","90","","102.437","0.001","90","","1735.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0491","0.0353","","","0.0849","0.0909","","","","","","1.034","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132160","25.0443","0.0007","6.8179","0.0002","10.1504","0.0003","90","","96.3846","0.0009","90","","1722.43","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","NV472cr","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0353","0.0325","","","0.0772","0.0785","","","","","","1.057","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132161","4.2298","0.0002","19.7579","0.0011","12.2515","0.0006","90","","97.8156","0.0018","90","","1014.37","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","494a","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0389","0.0332","","","0.0775","0.0802","","","","","","1.044","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132162","7.6599","0.0002","8.342","0.0002","23.4353","0.0007","90","","90","","90","","1497.49","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv236-E1","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0459","0.0425","","","0.1106","0.1126","","","","","","1.131","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132163","7.661","0.0002","8.3423","0.0002","23.444","0.0005","90","","90","","90","","1498.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv237-e2","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0415","0.0388","","","0.1058","0.1071","","","","","","1.095","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132164","7.9677","0.0002","9.2454","0.0002","11.7448","0.0003","83.4692","0.0008","88.5722","0.0009","80.9664","0.0009","848.88","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","nv632cr","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C40 H46 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0567","0.0485","","","0.1284","0.1355","","","","","","1.07","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132165","13.4422","0.0004","11.6532","0.0004","15.2777","0.0005","90","","99.794","0.001","90","","2358.29","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nv629cr","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0696","0.0575","","","0.1539","0.1627","","","","","","1.072","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132166","8.2294","0.001","18.282","0.002","22.361","0.003","90","","90","","90","","3364.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","nv723","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0575","0.047","","","0.1224","0.1303","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132167","8.3263","0.0005","11.362","0.0007","12.3017","0.0006","69.648","0.002","83.394","0.002","70.16","0.002","1026.36","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl2 N O5 -","- C21 H27 Cl2 N O5 -","- C42 H54 Cl4 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0474","0.0403","","","0.1007","0.1053","","","","","","1.035","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132168","10.0419","0.0007","18.4401","0.001","12.5503","0.0007","90","","93.409","0.002","90","","2319.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NV1216AA","","","- C24 H32 N2 O8 -","- C24 H32 N2 O8 -","- C96 H128 N8 O32 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0475","0.0402","","","0.0983","0.1021","","","","","","1.052","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132169","9.706","0.002","25.862","0.007","11.622","0.003","90","","114.351","0.003","90","","2657.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O3 S -","- C28 H37 N3 O3 S -","- C112 H148 N12 O12 S4 -","4","1","","Han, Ting; Deng, Haiqin; Qiu, Zijie; Zhao, Zheng; Zhang, Haoke; Zou, Hang; Leung, Nelson L. C.; Shan, Guogang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Tang, Ben Zhong","Facile Multicomponent Polymerizations toward Unconventional Luminescent Polymers with Readily Openable Small Heterocycles.","Journal of the American Chemical Society","2018","140","16","5588","5598","10.1021/jacs.8b01991","","","0.71073","MoKα","","0.1089","0.0554","","","0.1097","0.1319","","","","","","1.014","","","","has coordinates,has disorder","242197","2020-10-21","18:00:00",""
"4132170","13.6351","0.0003","23.0852","0.0007","25.6213","0.0005","90","","90.584","0.002","90","","8064.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H103 Cl4 Co6 F6 N O2 P7 Se8 -","- C56.004 H103.008 Cl4.008 Co6 F6 N O2 P7 Se8 -","- C224.016 H412.032 Cl16.032 Co24 F24 N4 O8 P28 Se32 -","4","1","","Voevodin, Anastasia; Campos, Luis M.; Roy, Xavier","Multifunctional Vesicles from a Self-assembled Cluster-Containing Diblock Copolymer.","Journal of the American Chemical Society","2018","140","16","5607","5611","10.1021/jacs.8b02041","","x-ray","1.54184","CuKα","","0.0782","0.0566","","","0.1388","0.1525","","","","","","1.023","","","","has coordinates,has disorder","242198","2020-10-21","18:00:00",""
"4132171","8.9529","0.0011","24.098","0.003","20.991","0.002","90","","93.228","0.004","90","","4521.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O3 S -","- C25 H26 N2 O3 S -","- C200 H208 N16 O24 S8 -","8","2","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","0.71073","MoKα","","0.0998","0.0496","","","0.0996","0.1195","","","","","","1.008","","","","has coordinates,has disorder","242199","2020-10-21","18:00:00",""
"4132172","10.0696","0.0006","10.1472","0.0007","11.9906","0.0007","110.579","0.002","96.643","0.002","90.227","0.002","1137.98","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl N2 O3 Pd -","- C27 H24 Cl N2 O3 Pd -","- C54 H48 Cl2 N4 O6 Pd2 -","2","1","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","0.71073","MoKα","","0.0409","0.031","","","0.0605","0.0645","","","","","","1.03","","","","has coordinates,has disorder","242200","2020-10-21","18:00:00",""
"4132173","15.5251","0.0004","13.7858","0.0004","17.6487","0.0005","90","","112.346","0.001","90","","3493.62","0.17","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N2 O Pd -","- C21 H18 Cl N2 O Pd -","- C168 H144 Cl8 N16 O8 Pd8 -","8","1","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","1.54178","CuKα","","0.0462","0.0411","","","0.1022","0.1067","","","","","","1.047","","","","has coordinates","242201","2020-10-21","18:00:00",""
"4132174","13.48259","0.00006","14.45393","0.00006","16.01156","0.00009","90","","104.013","0.0005","90","","3027.42","0.03","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 F7 N2 O3 -","- C33 H33 F7 N2 O3 -","- C132 H132 F28 N8 O12 -","4","1","","Cabrera, Pablo J.; Lee, Melissa; Sanford, Melanie S.","Second-Generation Palladium Catalyst System for Transannular C-H Functionalization of Azabicycloalkanes.","Journal of the American Chemical Society","2018","140","16","5599","5606","10.1021/jacs.8b02142","","","1.54184","CuKα","","0.0517","0.0511","","","0.127","0.1275","","","","","","1.048","","","","has coordinates,has disorder","242202","2020-10-21","18:00:00",""
"4132175","8.7749","0.0002","11.2077","0.0002","15.1378","0.0003","101.086","0.0017","91.8988","0.0018","98.755","0.0017","1440.95","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F7 N2 O4 -","- C31 H33 F7 N2 O4 -","- C62 H66 F14 N4 O8 -","2","1","","Cabrera, Pablo J.; Lee, Melissa; Sanford, Melanie S.","Second-Generation Palladium Catalyst System for Transannular C-H Functionalization of Azabicycloalkanes.","Journal of the American Chemical Society","2018","140","16","5599","5606","10.1021/jacs.8b02142","","","1.54184","CuKα","","0.0378","0.0362","","","0.0956","0.097","","","","","","1.017","","","","has coordinates","242203","2020-10-21","18:00:00",""
"4132176","7.4092","0.0007","10.2119","0.0009","22.525","0.002","90","","90","","90","","1704.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 O4 S -","- C18 H19 F N2 O4 S -","- C72 H76 F4 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0323","0.0309","","","0.0759","0.0767","","","","","","1.099","","","","has coordinates","242204","2020-10-21","18:00:00",""
"4132177","5.2733","0.0003","10.7709","0.0006","37.817","0.002","90","","90","","90","","2147.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F O6 S -","- C24 H21 F O6 S -","- C96 H84 F4 O24 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0749","0.0516","","","0.0858","0.0931","","","","","","1.082","","","","has coordinates,has disorder","242205","2020-10-21","18:00:00",""
"4132178","17.8047","0.0004","17.8047","0.0004","6.9972","0.0002","90","","90","","120","","1920.99","0.08","100","2","100","2","","","","","","","","6","P 62","P 62","171","","","","- C11 H12.5 F N O4.25 S -","- C11 H12.5 F N O4.25 S -","- C66 H75 F6 N6 O25.5 S6 -","6","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0341","0.0333","","","0.0898","0.0904","","","","","","1.072","","","","has coordinates,has disorder","242206","2020-10-21","18:00:00",""
"4132179","5.527","0.0004","8.6617","0.0006","36.032","0.003","90","","90","","90","","1725","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F N O4 S2 -","- C17 H18 F N O4 S2 -","- C68 H72 F4 N4 O16 S8 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0903","0.0682","","","0.1219","0.1288","","","","","","1.171","","","","has coordinates","242207","2020-10-21","18:00:00",""
"4132180","7.5617","0.0003","9.7752","0.0005","23.9131","0.001","90","","90","","90","","1767.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C68 H72 F8 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0369","0.0316","","","0.0731","0.0754","","","","","","1.057","","","","has coordinates","242208","2020-10-21","18:00:00",""
"4132181","13.7281","0.0005","7.7633","0.0003","15.1716","0.0005","90","","96.176","0.002","90","","1607.53","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 F2 N2 O4 S -","- C16 H16 F2 N2 O4 S -","- C64 H64 F8 N8 O16 S4 -","4","2","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0709","0.0635","","","0.1696","0.1736","","","","","","1.136","","","","has coordinates","242209","2020-10-21","18:00:00",""
"4132182","7.8163","0.0005","9.2956","0.0006","12.4965","0.0008","90","","98.9206","0.001","90","","896.98","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C34 H36 F4 N4 O8 S2 -","2","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0318","0.0301","","","0.0767","0.0778","","","","","","1.043","","","","has coordinates","242210","2020-10-21","18:00:00",""
"4132183","13.9615","0.0006","14.7481","0.0006","16.6133","0.0007","90","","103.869","0.0015","90","","3321","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 S3 -","- C39 H36 S3 -","- C156 H144 S12 -","4","1","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.04","0.0346","","","0.0849","0.0891","","","","","","1.049","","","","has coordinates","242211","2020-10-21","18:00:00",""
"4132184","16.549","0.003","9.9129","0.0017","22.008","0.005","90","","104.799","0.007","90","","3490.6","1.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 O -","- C44 H46 O -","- C176 H184 O4 -","4","1","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.0698","0.0527","","","0.1188","0.1275","","","","","","1.081","","","","has coordinates,has disorder","242211","2020-10-21","18:00:00",""
"4132185","15.2838","0.001","15.2838","0.001","27.213","0.0019","90","","90","","120","","5505.2","0.6","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C66 H66 O3 -","- C66 H66 O3 -","- C264 H264 O12 -","4","0.333333","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.1215","0.1176","","","0.2209","0.2227","","","","","","1.299","","","","has coordinates,has disorder","242211","2020-10-21","18:00:00",""
"4132186","15.7186","0.0003","15.7186","0.0003","29.22","0.0006","90","","90","","90","","7219.5","0.2","230","2","230","","","","","","","","","5","I 4/m","-I 4","87","","","","- C72 Cu3 N12 O36 Zr6 -","- C72 Cu3 N12 O36 Zr6 -","- C144 Cu6 N24 O72 Zr12 -","2","0.125","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0716","0.0688","","","0.2593","0.2618","","","","","","1.171","","","","has coordinates","242212","2020-10-21","18:00:00",""
"4132187","30.259","0.0005","30.259","0.0005","30.259","0.0005","90","","90","","90","","27705.4","0.8","230","2","230.01","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C7 H8 Cl0.81 Cu0.5 Hf0.5 N O2.67 -","- C7 H7 Cl0.81 Cu0.5 Hf0.5 N O2.66667 -","- C336 H336 Cl38.88 Cu24 Hf24 N48 O128 -","48","0.25","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0735","0.0689","","","0.2272","0.2333","","","","","","1.12","","","","has coordinates,has disorder","242213","2020-10-21","18:00:00",""
"4132188","16.0403","0.0007","16.0403","0.0007","16.0403","0.0007","90","","90","","90","","4127","0.3","230","2","230","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C5 Cd0.12 Cl0.25 Dy0.25 F0.5 N0.5 O1.33 -","- C5 Cd0.125 Cl0.25 Dy0.25 F0.5 N0.5 O1.33333 -","- C120 Cd3 Cl6 Dy6 F12 N12 O32 -","24","0.5","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0631","0.0615","","","0.2203","0.2268","","","","","","1.258","","","","has coordinates","242214","2020-10-21","18:00:00",""
"4132189","7.1329","0.0002","17.6817","0.0004","35.8965","0.0008","90","","90","","90","","4527.33","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 O11 -","- C36 H40 N2 O11 -","- C144 H160 N8 O44 -","4","1","","Mandler, Michael D.; Baidin, Vadim; Lee, James; Pahil, Karanbir S.; Owens, Tristan W.; Kahne, Daniel","Novobiocin Enhances Polymyxin Activity by Stimulating Lipopolysaccharide Transport.","Journal of the American Chemical Society","2018","140","22","6749","6753","10.1021/jacs.8b02283","","","1.54178","CuKα","","0.0801","0.0757","","","0.2141","0.219","","","","","","1.084","","","","has coordinates","242215","2020-10-21","18:00:00",""
"4132190","12.685","0.004","14.502","0.004","22.983","0.007","90","","99.043","0.012","90","","4175","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ppip3","","","- C43 H62 Cl2 N5 P Ru -","- C43 H62 Cl2 N5 P Ru -","- C172 H248 Cl8 N20 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.14","0.082","","","0.1464","0.1609","","","","","","1.165","","","","has coordinates,has disorder","242216","2020-10-21","18:00:00",""
"4132191","12.582","0.004","14.694","0.004","26.929","0.009","90","","102.711","0.009","90","","4857","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CyPpip2","","","- C50 H76 Cl2 N4 O1.5 P Ru -","- C50 H76 Cl2 N4 O1.5 P Ru -","- C200 H304 Cl8 N16 O6 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.1013","0.0645","","","0.1465","0.1643","","","","","","1.038","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4132192","12.5478","0.0005","14.1495","0.0006","26.7547","0.0011","90","","92.828","0.002","90","","4744.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cy2Ppip","","","- C50 H72 Cl2 N3 O0.5 P Ru -","- C50 H72 Cl2 N3 O0.5 P Ru -","- C200 H288 Cl8 N12 O2 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.0959","0.0561","","","0.1214","0.1363","","","","","","1.072","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4132193","12.1351","0.0009","14.8021","0.001","22.944","0.002","90","","98.642","0.003","90","","4074.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cy2Ppyrr","","","- C44 H58 Cl2 N3 P Ru -","- C44 H58 Cl2 N3 P Ru -","- C176 H232 Cl8 N12 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.1239","0.0641","","","0.1225","0.1426","","","","","","1.075","","","","has coordinates","242219","2020-10-21","18:00:00",""
"4132194","15.9701","0.0005","19.026","0.0007","25.333","0.0007","75.796","0.003","78.814","0.002","72.466","0.003","7055.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H100 Cl0 N2 O0 -","- C174 H100 N2 -","- C348 H200 N4 -","2","1","","Takeda, Motoki; Hiroto, Satoru; Yokoi, Hiroki; Lee, Sangsu; Kim, Dongho; Shinokubo, Hiroshi","Azabuckybowl-Based Molecular Tweezers as C<sub>60</sub> and C<sub>70</sub> Receptors.","Journal of the American Chemical Society","2018","140","20","6336","6342","10.1021/jacs.8b02327","","","0.71073","MoKα","","0.1714","0.1039","","","0.2482","0.2709","","","","","","1.064","","","","has coordinates,has disorder","242220","2020-10-21","18:00:00",""
"4132195","13.0834","0.0003","38.2825","0.0007","26.7591","0.0006","90","","102.678","0.002","90","","13075.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C205 H124 N2 -","- C205 H124 N2 -","- C820 H496 N8 -","4","1","","Takeda, Motoki; Hiroto, Satoru; Yokoi, Hiroki; Lee, Sangsu; Kim, Dongho; Shinokubo, Hiroshi","Azabuckybowl-Based Molecular Tweezers as C<sub>60</sub> and C<sub>70</sub> Receptors.","Journal of the American Chemical Society","2018","140","20","6336","6342","10.1021/jacs.8b02327","","","0.71073","MoKα","","0.161","0.1082","","","0.2875","0.3416","","","","","","1.03","","","","has coordinates,has disorder","242221","2020-10-21","18:00:00",""
"4132196","9.62577","0.00003","14.4848","0.00007","18.2568","0.00007","90","","90","","90","","2545.5","0.018","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 S -","- C31 H25 N O3 S -","- C124 H100 N4 O12 S4 -","4","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","x-ray","1.54184","CuKα","","0.0251","0.025","","","0.0698","0.0699","","","","","","1.066","","","","has coordinates","242222","2020-10-21","18:00:00",""
"4132197","5.264","0.0011","20.199","0.004","11.328","0.002","90","","99.87","0.03","90","","1186.7","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","","0.71073","MoKα","","0.064","0.0628","","","0.1678","0.1693","","","","","","1.057","","","","has coordinates","242223","2020-10-21","18:00:00",""
"4132198","9.454","0.0005","10.1497","0.0005","15.3519","0.0008","75.573","0.004","86.417","0.004","89.725","0.004","1423.77","0.13","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C72 H48 N4 O4 -","2","1","","He, Xuewen; Zhao, Zheng; Xiong, Ling-Hong; Gao, Peng Fei; Peng, Chen; Li, Rong Sheng; Xiong, Yu; Li, Zhi; Sung, Herman H.-Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Huang, Cheng Zhi; Ma, Nan; Tang, Ben Zhong","Redox-Active AIEgen-Derived Plasmonic and Fluorescent Core@Shell Nanoparticles for Multimodality Bioimaging.","Journal of the American Chemical Society","2018","140","22","6904","6911","10.1021/jacs.8b02350","","x-ray","1.54184","CuKα","","0.0435","0.0376","","","0.0978","0.102","","","","","","1.004","","","","has coordinates","242224","2020-10-21","18:00:00",""
"4132199","14.0173","0.0015","15.6044","0.0015","21.793","0.002","81.23","0.002","83.509","0.002","81.202","0.002","4636","0.8","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Al2 F48 N4 O8 -","- C83.9936 H67.9952 Al2 F47.9904 N4 O8 -","- C167.987 H135.99 Al4 F95.9808 N8 O16 -","2","1","","Wang, Wenqing; Chen, Chao; Shu, Chan; Rajca, Suchada; Wang, Xinping; Rajca, Andrzej","S = 1 Tetraazacyclophane Diradical Dication with Robust Stability: A Case of Low-Temperature One-Dimensional Antiferromagnetic Chain.","Journal of the American Chemical Society","2018","140","25","7820","7826","10.1021/jacs.8b02415","","","0.71073","MoKα","","0.0902","0.0489","","","0.1141","0.1346","","","","","","0.978","","","","has coordinates,has disorder","242225","2020-10-21","18:00:00",""
"4132200","14.1081","0.001","15.6055","0.0011","21.8291","0.0015","81.4403","0.0016","83.4804","0.0017","81.0841","0.0018","4674.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Al2 F48 N4 O8 -","- C84 H68 Al2 F48 N4 O8 -","- C168 H136 Al4 F96 N8 O16 -","2","1","","Wang, Wenqing; Chen, Chao; Shu, Chan; Rajca, Suchada; Wang, Xinping; Rajca, Andrzej","S = 1 Tetraazacyclophane Diradical Dication with Robust Stability: A Case of Low-Temperature One-Dimensional Antiferromagnetic Chain.","Journal of the American Chemical Society","2018","140","25","7820","7826","10.1021/jacs.8b02415","","","0.71073","MoKα","","0.062","0.0437","","","0.1169","0.1295","","","","","","1.064","","","","has coordinates,has disorder","242227","2020-10-21","18:00:00",""
"4132201","10.6293","0.0006","19.9421","0.0011","13.7025","0.0008","90","","99.2721","0.0007","90","","2866.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 F7 Ir N4 -","- C33 H24 F7 Ir N4 -","- C132 H96 F28 Ir4 N16 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0208","0.0197","","","0.0466","0.0471","","","","","","1.09","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132202","11.392","0.007","21.133","0.014","13.834","0.009","90","","94.876","0.008","90","","3318","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F4 Ir N5 O2 -","- C33 H26 F4 Ir N5 O2 -","- C132 H104 F16 Ir4 N20 O8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0306","0.0272","","","0.0593","0.0606","","","","","","1.117","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132203","16.7013","0.0009","11.2843","0.0006","18.1118","0.001","90","","113.543","0.0007","90","","3129.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F4 Ir N5 O2 -","- C35 H30 F4 Ir N5 O2 -","- C140 H120 F16 Ir4 N20 O8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0288","0.0229","","","0.0569","0.0678","","","","","","1.156","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132204","23.9379","0.001","11.9202","0.0005","15.6551","0.0012","90","","130.05","","90","","3419.5","0.3","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C144 H110 Cl10 Ir4 N20 O8 S8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.021","0.019","","","0.0407","0.0413","","","","","","0.923","","","","has coordinates,has disorder","242228","2020-10-21","18:00:00",""
"4132205","10.98","0.0015","14.58","0.0019","15.9","0.002","94.5","0.0019","99.7","0.0015","102.6","0.002","2431","0.6","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H32 Cl32 N4 O16 Ru4 -","- C74 H28 Cl32 N4 O16 Ru4 -","- C74 H28 Cl32 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.0941","0.0745","","","0.2112","0.279","","","","","","1.161","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132206","11.044","0.005","14.043","0.007","16.207","0.007","95.936","0.004","99.486","0.005","109.482","0.006","2303.1","1.8","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H24 Cl24 N4 O16 Ru4 -","- C70 H18 Cl24 N4 O16 Ru4 -","- C70 H18 Cl24 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.1188","0.1057","","","0.2753","0.2951","","","","","","1.047","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132207","11.002","0.003","14.584","0.004","15.965","0.005","95.065","0.004","99.399","0.003","103.745","0.005","2433.2","1.2","116","","116","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H28 Cl28 N4 O16 Ru4 -","- C72 H26 Cl28 N4 O16 Ru4 -","- C72 H26 Cl28 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.0845","0.0768","","","0.2139","0.2237","","","","","","1.039","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132208","11.008","0.004","13.982","0.006","16.198","0.006","96.129","0.004","99.372","0.006","109.695","0.007","2280.6","1.5","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H24 Cl24 N4 O16 Ru4 -","- C70 H14 Cl24 N4 O16 Ru4 -","- C70 H14 Cl24 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.1018","0.0749","","","0.1966","0.2307","","","","","","1.078","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132209","7.467","0.007","9.997","0.009","11.538","0.011","80.37","0.03","85.46","0.04","71.51","0.03","805","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O8 -","- C15 H13 N3 O8 -","- C30 H26 N6 O16 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0756","0.0625","","","0.1633","0.1873","","","","","","1.102","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132210","8.209","0.005","11.582","0.006","15.675","0.008","90","","100.525","0.004","90","","1465.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0432","0.041","","","0.1195","0.1226","","","","","","1.13","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132211","6.471","0.004","17.119","0.011","13.9","0.009","90","","98.322","0.008","90","","1523.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C60 H52 N12 O28 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0568","0.0528","","","0.1542","0.1671","","","","","","1.124","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132212","7.806","0.007","10.767","0.009","17.948","0.015","80.47","0.02","86.02","0.03","78.432","0.018","1456","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1146","0.083","","","0.2086","0.2511","","","","","","1.115","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132213","7.3427","0.0019","16.733","0.004","11.153","0.003","90","","97.192","0.014","90","","1359.5","0.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0904","0.0793","","","0.1989","0.2116","","","","","","1.18","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132214","3.821","0.003","33.53","0.03","11.226","0.01","90","","98.496","0.011","90","","1422","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1194","0.0835","","","0.2281","0.2656","","","","","","1.16","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132215","7.55","0.008","16.276","0.016","11.939","0.012","90","","98.124","0.014","90","","1452","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0738","0.0637","","","0.1711","0.1857","","","","","","1.134","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132216","5.341","0.006","31.98","0.03","8.406","0.009","90","","93.563","0.013","90","","1433","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.116","0.0937","","","0.2671","0.2944","","","","","","1.103","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132217","7.033","0.004","8.877","0.005","27.155","0.016","90","","91.544","0.007","90","","1694.7","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O10 -","- C14 H12 N4 O10 -","- C56 H48 N16 O40 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0717","0.0555","","","0.1482","0.1599","","","","","","1.107","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132218","3.832","0.004","30.51","0.03","11.789","0.011","90","","90.809","0.009","90","","1378","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C60 H44 Cl4 N8 O12 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0925","0.0759","","","0.208","0.231","","","","","","1.255","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132219","23.138","0.018","9.93","0.008","9.613","0.007","90","","95.908","0.01","90","","2197","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1013","0.0781","","","0.1941","0.2199","","","","","","1.186","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132220","6.315","0.008","7.061","0.007","15.048","0.017","85.167","0.013","83.67","0.04","81.671","0.016","658.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N O4 -","- C15 H18 N O4 -","- C30 H36 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0627","0.0532","","","0.1494","0.1583","","","","","","1.077","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132221","3.936","0.005","15.88","0.02","20.64","0.03","90","","90.518","0.011","90","","1290","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1024","0.0736","","","0.191","0.2298","","","","","","1.146","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4132222","3.909","0.007","13.08","0.02","13.52","0.02","105.33","0.03","90.581","0.016","92.2","0.03","666","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C28 H24 Cl2 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.098","0.0802","","","0.2293","0.256","","","","","","1.132","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132223","7.35","0.009","20.77","0.02","9.208","0.011","90","","106.107","0.014","90","","1351","3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1026","0.0751","","","0.1738","0.1984","","","","","","1.173","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132224","7.125","0.006","8.363","0.006","25.54","0.02","90","","97.922","0.011","90","","1507","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0633","0.0562","","","0.1593","0.1699","","","","","","1.148","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132225","6.358","0.004","6.932","0.005","14.993","0.011","87.16","0.02","83.62","0.02","81.62","0.02","649.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C28 H24 Cl2 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0674","0.0544","","","0.1523","0.2099","","","","","","1.247","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132226","6.451","0.004","6.728","0.005","15.3","0.01","88.57","0.02","84.457","0.018","82.348","0.019","655","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C28 H24 N4 O12 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0455","0.0407","","","0.119","0.1308","","","","","","1.096","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132227","13.7006","0.0006","14.0075","0.0005","16.8978","0.0012","90","","115.615","0.004","90","","2924.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C112 H88 N24 O64 -","8","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0675","0.0478","","","0.1195","0.1346","","","","","","1.029","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132228","7.075","0.005","16.73","0.01","27.134","0.017","90","","95.336","0.006","90","","3198","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O8 -","- C14 H14 N4 O8 -","- C112 H112 N32 O64 -","8","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1049","0.0826","","","0.1976","0.2137","","","","","","1.168","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132229","12.5436","0.0006","12.6964","0.0006","23.2297","0.0011","101.867","0.002","90.763","0.002","100.14","0.002","3559.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H125 As3 Ga2 N4 -","- C68 H97 As3 Ga2 N4 -","- C136 H194 As6 Ga4 N8 -","2","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>]<sub>2</sub>}GaAsCp* Containing a Ga═As Double Bond.","Journal of the American Chemical Society","2018","140","15","5053","5056","10.1021/jacs.8b02447","","","0.71073","MoKα","","0.0418","0.0318","","","0.0812","0.0859","","","","","","1.037","","","","has coordinates","242231","2020-10-21","18:00:00",""
"4132230","11.8364","0.0005","18.1069","0.0008","18.3359","0.0008","87.481","0.002","81.731","0.002","73.919","0.002","3736.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 As Ga N2 -","- C39 H56 As Ga N2 -","- C156 H224 As4 Ga4 N8 -","4","2","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>]<sub>2</sub>}GaAsCp* Containing a Ga═As Double Bond.","Journal of the American Chemical Society","2018","140","15","5053","5056","10.1021/jacs.8b02447","","","0.71073","MoKα","","0.0473","0.0324","","","0.0754","0.0822","","","","","","1.028","","","","has coordinates,has disorder","242231","2020-10-21","18:00:00",""
"4132231","11.47072","0.00018","9.95859","0.00017","33.1143","0.0006","90","","96.5187","0.0016","90","","3758.26","0.11","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 F3 N2 O3 -","- C20 H19 F3 N2 O3 -","- C160 H152 F24 N16 O24 -","8","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","1.54184","CuKα","","0.0751","0.0699","","","0.192","0.1972","","","","","","1.046","","","","has coordinates","242232","2020-10-21","18:00:00",""
"4132232","8.6341","0.0004","15.3202","0.0005","12.6571","0.0006","90","","104.38","0.004","90","","1621.78","0.12","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N3 O2 -","- C17 H14 F3 N3 O2 -","- C68 H56 F12 N12 O8 -","4","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0925","0.0629","","","0.1551","0.179","","","","","","1.033","","","","has coordinates,has disorder","242233","2020-10-21","18:00:00",""
"4132233","10.0804","0.0004","20.9776","0.0008","12.4916","0.0004","90","","98.816","0.003","90","","2610.3","0.17","143.1","0.2","143.1","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O9 -","- C30 H22 N2 O9 -","- C120 H88 N8 O36 -","4","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0776","0.0495","","","0.1057","0.1245","","","","","","1.019","","","","has coordinates","242234","2020-10-21","18:00:00",""
"4132234","7.4972","0.0006","10.1381","0.0009","11.0921","0.0009","71.133","0.008","70.386","0.008","78.79","0.007","748","0.12","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F3 N2 O3 -","- C16 H11 F3 N2 O3 -","- C32 H22 F6 N4 O6 -","2","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0865","0.0517","","","0.1212","0.1446","","","","","","1.021","","","","has coordinates","242235","2020-10-21","18:00:00",""
"4132235","23.631","0.002","13.8788","0.0013","18.5349","0.0018","90","","90","","90","","6078.9","1","230","2","230","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59 H91 Cu3 K N6 O3.5 Se -","- C59 H91 Cu3 K N6 O3.5 Se -","- C236 H364 Cu12 K4 N24 O14 Se4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.1421","0.0618","","","0.1324","0.1652","","","","","","0.995","","","","has coordinates,has disorder","242236","2020-10-21","18:00:00",""
"4132236","23.4096","0.0015","13.726","0.0009","18.4332","0.0012","90","","90","","90","","5923","0.7","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H95 Cu3 K N6 O4 S -","- C61 H95 Cu3 K N6 O4 S -","- C244 H380 Cu12 K4 N24 O16 S4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.0328","0.0248","","","0.0506","0.0522","","","","","","0.947","","","","has coordinates","242237","2020-10-21","18:00:00",""
"4132237","5.6776","0.0002","14.2324","0.0005","19.406","0.0007","90","","90","","90","","1568.12","0.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O7 -","- C16 H15 Br O7 -","- C64 H60 Br4 O28 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0253","0.0236","","","0.0547","0.0553","","","","","","1.061","","","","has coordinates","242238","2020-10-21","18:00:00",""
"4132238","12.8266","0.0006","13.9034","0.0007","16.8142","0.0008","90","","101.097","0.002","90","","2942.5","0.2","100","","99.89","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O14.05 -","- C32 H30 O14.049 -","- C128 H120 O56.196 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0372","0.0361","","","0.0957","0.0967","","","","","","1.027","","","","has coordinates","242239","2020-10-21","18:00:00",""
"4132239","19.3814","0.0003","16.8448","0.0003","21.1946","0.0003","90","","90","","90","","6919.52","0.19","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H44 Si6 -","- C32 H44 Si6 -","- C256 H352 Si48 -","8","1","","Marro, Eric A.; Press, Eric M.; Siegler, Maxime A.; Klausen, Rebekka S.","Directional Building Blocks Determine Linear and Cyclic Silicon Architectures.","Journal of the American Chemical Society","2018","140","18","5976","5986","10.1021/jacs.8b02541","","","0.71073","MoKα","","0.0382","0.0302","","","0.0742","0.0787","","","","","","1.075","","","","has coordinates","242240","2020-10-21","18:00:00",""
"4132240","7.7684","0.0002","10.9017","0.0003","21.8627","0.0006","90","","90","","90","","1851.53","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-Catalyzed Highly Regioselective Hydrocyanation of Terminal Alkynes with Zn(CN)<sub>2</sub> Using Water as the Hydrogen Source.","Journal of the American Chemical Society","2018","140","24","7385","7389","10.1021/jacs.8b02542","","","1.54178","CuKα","","0.0376","0.0368","","","0.0951","0.0959","","","","","","1.072","","","","has coordinates","242241","2020-10-21","18:00:00",""
"4132241","8.57436","0.00015","6.43605","0.00018","13.5714","0.0003","90","","97.6815","0.0017","90","","742.22","0.03","294","2","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Wang, Yin-Xia; Qi, Shao-Long; Luan, Yu-Xin; Han, Xing-Wang; Wang, Shan; Chen, Hao; Ye, Mengchun","Enantioselective Ni-Al Bimetallic Catalyzed exo-Selective C-H Cyclization of Imidazoles with Alkenes.","Journal of the American Chemical Society","2018","140","16","5360","5364","10.1021/jacs.8b02547","","x-ray","1.54184","CuKα","","0.0449","0.0445","","","0.131","0.1316","","","","","","1.077","","","","has coordinates","242242","2020-10-21","18:00:00",""
"4132242","10.8999","0.0009","5.6054","0.0005","13.3076","0.0011","90","","91.6866","0.0014","90","","812.72","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N -","- C19 H24 Cl N -","- C38 H48 Cl2 N2 -","2","1","","Gribble, Jr, Michael W; Guo, Sheng; Buchwald, Stephen L.","Asymmetric Cu-Catalyzed 1,4-Dearomatization of Pyridines and Pyridazines without Preactivation of the Heterocycle or Nucleophile.","Journal of the American Chemical Society","2018","140","15","5057","5060","10.1021/jacs.8b02568","","","0.71073","MoKα","","0.031","0.0291","","","0.0727","0.0741","","","","","","1.039","","","","has coordinates","242243","2020-10-21","18:00:00",""
"4132243","20.071","0.0009","17.5234","0.0008","21.7136","0.0009","90","","106.65","0.002","90","","7316.7","0.6","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H98 Fe2 N2 O P4 S2 Si2 -","- C76 H97.662 Fe2 N2 O P4 S2 Si2 -","- C304 H390.648 Fe8 N8 O4 P16 S8 Si8 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0559","0.0378","","","0.0776","0.0847","","","","","","1.037","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132244","19.3145","0.0016","13.0291","0.0011","35.412","0.003","90","","90","","90","","8911.4","1.3","100","2","100.03","","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C43.83 H62.62 Fe Li N2 O2 P2 S Si -","- C43.834 H62.623 Fe Li N2 O2 P2 S Si -","- C350.672 H500.984 Fe8 Li8 N16 O16 P16 S8 Si8 -","8","2","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0628","0.052","","","0.1236","0.1284","","","","","","1.088","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132245","12.739","0.003","19.956","0.004","21.496","0.004","90","","105.629","0.003","90","","5262.7","1.9","100","2","99.98","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51.96 H75.25 Fe Li N2 O6 P2 S Si -","- C51.952 H75.251 Fe Li N2 O6.01 P2 S Si -","- C207.808 H301.004 Fe4 Li4 N8 O24.04 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.1343","0.0943","","","0.2187","0.249","","","","","","1.138","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132246","15.8933","0.0007","12.1269","0.0005","17.6931","0.0007","90","","91.91","0.002","90","","3408.2","0.2","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Fe N2 P2 S Si -","- C36 H45 Fe N2 P2 S Si -","- C144 H180 Fe4 N8 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","1.54178","CuKα","","0.0595","0.0442","","","0.0917","0.0981","","","","","","1.044","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132247","14.404","0.0017","20.067","0.002","21.317","0.003","90","","109.234","0.004","90","","5817.6","1.2","100","2","99.98","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56.55 H86.19 Fe N2 Na O8.45 P2 S Si -","- C56.55 H86.2 Fe N2 Na O8.45 P2 S Si -","- C226.2 H344.8 Fe4 N8 Na4 O33.8 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0866","0.0621","","","0.1482","0.1602","","","","","","1.069","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132248","10.1224","0.0009","16.4372","0.0014","21.1981","0.0018","90","","99.32","0.003","90","","3480.5","0.5","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Fe N P2 S Si -","- C38 H47 Fe N P2 S Si -","- C152 H188 Fe4 N4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.05","0.0334","","","0.0798","0.0906","","","","","","1.074","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132249","6.1297","0.0018","12.781","0.004","14.79","0.005","90","","90","","90","","1158.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl I O -","- C11 H12 Cl I O -","- C44 H48 Cl4 I4 O4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0145","","","0.0343","0.0345","","","","","","1.011","","","","has coordinates","242245","2020-10-21","18:00:00",""
"4132250","11.5142","0.0017","13.629","0.002","33.558","0.005","90","","90","","90","","5266.2","1.3","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H50 I2 N O3 P Si2 -","- C64 H50 I2 N O3 P Si2 -","- C256 H200 I8 N4 O12 P4 Si8 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0938","0.0672","","","0.162","0.1899","","","","","","1.069","","","","has coordinates","242246","2020-10-21","18:00:00",""
"4132251","12.371","0.003","9.374","0.002","15.26","0.004","90","","95.279","0.005","90","","1762.1","0.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br I P S -","- C18 H15 Br I P S -","- C72 H60 Br4 I4 P4 S4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0663","0.0602","","","0.1453","0.1482","","","","","","1.029","","","","has coordinates","242247","2020-10-21","18:00:00",""
"4132252","10.815","0.002","9.2369","0.0016","25.431","0.005","90","","101.749","0.003","90","","2487.3","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H50 N O3 P Si2 -","- C64 H50 N O3 P Si2 -","- C128 H100 N2 O6 P2 Si4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0363","0.0325","","","0.0825","0.0871","","","","","","1.018","","","","has coordinates","242248","2020-10-21","18:00:00",""
"4132253","9.079","0.003","12.14","0.005","14.018","0.005","78.003","0.016","77.069","0.015","81.756","0.018","1465.4","0.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","1","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0524","0.0429","","","0.0978","0.1006","","","","","","0.998","","","","has coordinates","242249","2020-10-21","18:00:00",""
"4132254","8.848","0.0019","9.559","0.002","12.435","0.003","84.477","0.011","74.428","0.008","81.055","0.01","999.2","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 I3 P S -","- C18 H15 I3 P S -","- C36 H30 I6 P2 S2 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0698","0.0673","","","0.1826","0.1846","","","","","","1.049","","","","has coordinates","242250","2020-10-21","18:00:00",""
"4132255","9.059","0.003","9.733","0.003","10.77","0.003","90","","102.591","0.006","90","","926.8","0.5","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 I O2 -","- C21 H25 I O2 -","- C42 H50 I2 O4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0152","","","0.0407","0.0408","","","","","","1.097","","","","has coordinates","242251","2020-10-21","18:00:00",""
"4132256","12.867","0.006","13.018","0.006","13.291","0.006","95.741","0.011","116.713","0.011","104.68","0.011","1863.8","1.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C82 H104 O12 -","- C82 H104 O12 -","- C82 H104 O12 -","1","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1421","0.0914","","","0.2494","0.2834","","","","","","1.056","","","","has coordinates","242252","2020-10-21","18:00:00",""
"4132257","11.1","0.02","12.196","0.019","14.06","0.03","93.34","0.17","94.55","0.18","102.22","0.16","1849","6","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C74 H94 O12 -","1","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.6889","Synchrotron","","0.3027","0.1173","","","0.1553","0.1781","","","","","","2.087","","","","has coordinates,has disorder","242253","2020-10-21","18:00:00",""
"4132258","24.6748","0.0018","12.5778","0.0009","26.133","0.003","90","","116.649","0.0018","90","","7248.9","1.1","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C296 H376 O48 -","4","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1188","0.0792","","","0.2159","0.2479","","","","","","1.047","","","","has coordinates,has disorder","242254","2020-10-21","18:00:00",""
"4132259","11.5241","0.0009","12.903","0.0011","22.5069","0.0019","90","","91.752","0.002","90","","3345.1","0.5","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C148 H188 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0774","0.0528","","","0.1329","0.1563","","","","","","1.012","","","","has coordinates,has disorder","242255","2020-10-21","18:00:00",""
"4132260","12.6553","0.0009","14.9068","0.001","15.8129","0.0012","102.503","0.002","108.766","0.002","108.108","0.002","2513.2","0.3","240","","240","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H70 O10 -","- C55 H70 O10 -","- C110 H140 O20 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0868","0.0635","","","0.17","0.1966","","","","","","1.028","","","","has coordinates,has disorder","242256","2020-10-21","18:00:00",""
"4132261","11.0743","0.0004","12.6665","0.0004","23.3275","0.0006","86.472","0.003","82.616","0.003","71.064","0.003","3068.77","0.18","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 O12 -","- C66 H84 O12 -","- C132 H168 O24 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.6889","Synchrotron","","0.1116","0.061","","","0.1317","0.1479","","","","","","0.752","","","","has coordinates,has disorder","242257","2020-10-21","18:00:00",""
"4132262","12.6961","0.001","20.7685","0.0018","21.3724","0.0018","82.538","0.002","89.865","0.002","89.331","0.002","5587.3","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H80 O10 -","- C63 H80 O10 -","- C252 H320 O40 -","4","2","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0715","0.051","","","0.1198","0.1311","","","","","","1.017","","","","has coordinates,has disorder","242258","2020-10-21","18:00:00",""
"4132263","14.0646","0.0013","21.414","0.002","21.8397","0.0019","76.973","0.002","84.468","0.002","84.137","0.002","6356.6","1","240","","240","","","","","","","","","3","P -1","-P 1","2","","","","- C137.88 H174.85 O20 -","- C137.896 H174.87 O20 -","- C275.792 H349.74 O40 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0901","0.0525","","","0.1314","0.1562","","","","","","1.009","","","","has coordinates,has disorder","242259","2020-10-21","18:00:00",""
"4132264","11.3308","0.0002","11.3308","0.0002","34.3551","0.0008","90","","90","","120","","3819.82","0.13","100","","100","","","","","","","","","3","P 61","P 61","169","","","","- C27 H40 O7 -","- C27 H40 O7 -","- C162 H240 O42 -","6","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","x-ray","1.54178","CuKα","","0.0371","0.0353","","","0.0854","0.0867","","","","","","1.052","","","","has coordinates","242260","2020-10-21","18:00:00",""
"4132265","6.4359","0.0002","25.5852","0.0006","7.0724","0.0002","90","","107.905","0.0012","90","","1108.17","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C48 H76 O10 -","2","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","","0.71073","MoKα","","0.0395","0.0369","","","0.1041","0.1106","","","","","","1.063","","","","has coordinates","242261","2020-10-21","18:00:00",""
"4132266","14.5894","0.0002","14.6248","0.0002","29.1828","0.0004","100.657","0.001","101.01","0.001","90.253","0.001","6001.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 N4 O8 S4 Zn2 -","- C42 H28 N4 O8 S4 Zn2 -","- C168 H112 N16 O32 S16 Zn8 -","4","2","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54178","CuKα","","0.1305","0.1263","","","0.2081","0.21","","","","","","1.258","","","","has coordinates","242262","2020-10-21","18:00:00",""
"4132267","10.469","0.0005","11.9902","0.0005","12.8629","0.0006","111.386","0.004","96.819","0.004","98.464","0.004","1460.78","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 N5 O S2 -","- C33 H31 N5 O S2 -","- C66 H62 N10 O2 S4 -","2","1","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54178","CuKα","","0.0717","0.0635","","","0.167","0.1733","","","","","","1.032","","","","has coordinates","242263","2020-10-21","18:00:00",""
"4132268","25.7763","0.0003","18.3697","0.0003","15.7324","0.0002","90","","90","","90","","7449.34","0.18","150","2","150","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C64 H32 N8 O8 S6 Zn2 -","- C64 H32 N8 O8 S6 Zn2 -","- C256 H128 N32 O32 S24 Zn8 -","4","1","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54184","CuKα","","0.0624","0.0597","","","0.1624","0.1648","","","","","","1.037","","","","has coordinates,has disorder","242264","2020-10-21","18:00:00",""
"4132269","33.435","0.007","18.32","0.004","24.428","0.005","90","","90","","90","","14963","5","143","","143","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C98 H88 N8 -","- C98 H88 N8 -","- C784 H704 N64 -","8","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0893","0.0668","","","0.1561","0.1703","","","","","","1.074","","","","has coordinates","242265","2020-10-21","18:00:00",""
"4132270","31.014","0.009","15.951","0.004","15.969","0.004","90","","103.327","0.005","90","","7687","4","143","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C94 H80 Cl4 N8 -","- C94 H80 Cl4 N8 -","- C376 H320 Cl16 N32 -","4","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1258","0.1012","","","0.3151","0.3423","","","","","","1.222","","","","has coordinates","242266","2020-10-21","18:00:00",""
"4132271","24.051","0.01","5.6437","0.0019","16.91","0.007","90","","122.885","0.005","90","","1927.5","1.3","143","","143","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 -","- C26 H12 N2 -","- C104 H48 N8 -","4","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0985","0.0894","","","0.2769","0.2924","","","","","","1.083","","","","has coordinates","242267","2020-10-21","18:00:00",""
"4132272","11.5847","0.0004","15.8101","0.0005","19.4838","0.0006","68.749","0.0013","75.104","0.0015","78.43","0.0014","3191.21","0.18","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H56 Cl2 N4 O4 -","- C89 H52 Cl2 N4 O4 -","- C178 H104 Cl4 N8 O8 -","2","1","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","1.54187","CuKα","","","0.1305","","","","0.3844","","","","","","1.005","","","","has coordinates","242269","2020-10-21","18:00:00",""
"4132273","19.4101","","24.8072","","10.7401","","90","","90","","90","","5171.47","","143","","143","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C104 H106 Cl12 N8 O3 Sb2 -","- C106 H70 Cl12 N8 O3 Sb2 -","- C212 H140 Cl24 N16 O6 Sb4 -","2","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1065","0.0845","","","0.1989","0.2173","","","","","","1.105","","","","has coordinates","242270","2020-10-21","18:00:00",""
"4132274","11.5111","0.0003","23.1376","0.0007","8.0997","0.0002","90","","90.967","0.003","90","","2156.96","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F3 Ir O -","- C24 H30 F3 Ir O -","- C96 H120 F12 Ir4 O4 -","4","1","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","0.71073","MoKα","","0.0584","0.04","","","0.0655","0.0738","","","","","","1.067","","","","has coordinates,has disorder","242271","2020-10-21","18:00:00",""
"4132275","8.252","0.0002","9.1752","0.0002","26.1498","0.0005","80.224","0.002","89.855","0.002","87.327","0.002","1949","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Ir O2 S -","- C20 H29 Ir O2 S -","- C80 H116 Ir4 O8 S4 -","4","2","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0695","0.0703","","","","","","1.107","","","","has coordinates","242272","2020-10-21","18:00:00",""
"4132276","13.5428","0.0003","18.8283","0.0003","18.9337","0.0003","91.405","0.001","108.247","0.002","107.063","0.002","4347.1","0.16","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 F12 Ir2 -","- C44 H34 Cl4 F12 Ir2 -","- C176 H136 Cl16 F48 Ir8 -","4","2","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1083","0.1094","","","","","","1.083","","","","has coordinates,has disorder","242273","2020-10-21","18:00:00",""
"4132277","44.899","0.004","12.1059","0.0011","16.7796","0.0014","90","","100.249","0.003","90","","8974.9","1.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H68 Cl8 F10 N4 Pd2 -","- C100 H68 Cl8 F10 N4 Pd2 -","- C400 H272 Cl32 F40 N16 Pd8 -","4","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Metal-Stabilized Quinoidal Dibenzo[ g, p]chrysene-Fused Bis-dicarbacorrole System.","Journal of the American Chemical Society","2018","140","24","7579","7586","10.1021/jacs.8b02718","","","0.71073","MoKα","","0.081","0.0461","","","0.096","0.1062","","","","","","1.031","","","","has coordinates,has disorder","242274","2020-10-21","18:00:00",""
"4132278","9.3385","0.0015","9.8454","0.0016","17.075","0.003","90","","98.278","0.003","90","","1553.5","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H35 Br2 N O5 -","- C33 H35 Br2 N O5 -","- C66 H70 Br4 N2 O10 -","2","1","","Mori, Keiji; Isogai, Ryo; Kamei, Yuto; Yamanaka, Masahiro; Akiyama, Takahiko","Chiral Magnesium Bisphosphate-Catalyzed Asymmetric Double C(sp<sup>3</sup>)-H Bond Functionalization Based on Sequential Hydride Shift/Cyclization Process.","Journal of the American Chemical Society","2018","140","20","6203","6207","10.1021/jacs.8b02761","","","0.71073","MoKα","","0.0645","0.0442","","","0.0838","0.0905","","","","","","0.969","","","","has coordinates","242275","2020-10-21","18:00:00",""
"4132279","17.4658","0.0008","17.4658","0.0008","15.8447","0.0009","90","","90","","90","","4833.5","0.4","295.35","0.1","295.35","0.1","","","","","","","","4","I -4","I -4","82","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C192 H208 N24 O8 -","8","1","","Cao, Wei; Wang, Wei David; Xu, Hai-Sen; Sergeyev, Ivan V.; Struppe, Jochem; Wang, Xiaoling; Mentink-Vigier, Frederic; Gan, Zhehong; Xiao, Ming-Xing; Wang, Lu-Yao; Chen, Guo-Peng; Ding, San-Yuan; Bai, Shi; Wang, Wei","Exploring Applications of Covalent Organic Frameworks: Homogeneous Reticulation of Radicals for Dynamic Nuclear Polarization.","Journal of the American Chemical Society","2018","140","22","6969","6977","10.1021/jacs.8b02839","","","0.71073","MoKα","","0.2477","0.1165","","","0.2906","0.3798","","","","","","0.958","","","","has coordinates","242276","2020-10-21","18:00:00",""
"4132280","15.8988","0.0003","13.9099","0.0004","20.4188","0.0006","90","","93.141","0.002","90","","4508.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Cl2 P2 Pt -","- C42 H84 Cl2 P2 Pt -","- C168 H336 Cl8 P8 Pt4 -","4","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0849","0.0436","","","0.0947","0.1099","","","","","","1.02","","","","has coordinates","242277","2020-10-21","18:00:00",""
"4132281","10.5573","0.0002","16.0058","0.0003","17.6476","0.0009","94.62","0.009","91.338","0.008","97.183","0.009","2947.36","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cl2 O6 P2 Pt -","- C24 H48 Cl2 O6 P2 Pt -","- C96 H192 Cl8 O24 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0357","0.0251","","","0.0576","0.0617","","","","","","1.02","","","","has coordinates","242278","2020-10-21","18:00:00",""
"4132282","27.366","0.0007","27.366","0.0007","26.318","0.0008","90","","90","","120","","17068.9","0.8","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C30 H60 Cl2 O6 P2 Pt -","- C30 H60 Cl2 O6 P2 Pt -","- C540 H1080 Cl36 O108 P36 Pt18 -","18","0.5","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.1032","0.0608","","","0.1546","0.1813","","","","","","1.046","","","","has coordinates","242279","2020-10-21","18:00:00",""
"4132283","24.469","0.002","13.88","0.0012","20.2636","0.0018","90","","95.492","0.005","90","","6850.5","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H126 Cl2 P2 Pt -","- C66 H126 Cl2 P2 Pt -","- C264 H504 Cl8 P8 Pt4 -","4","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","1.54178","CuKα","","0.0712","0.055","","","0.1128","0.126","","","","","","1.127","","","","has coordinates,has disorder","242280","2020-10-21","18:00:00",""
"4132284","13.1005","0.0001","13.3774","0.0002","15.5372","0.0002","77.946","0.001","79.853","0.001","82.14","0.001","2607.05","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H94 P2 Pt -","- C54 H94 P2 Pt -","- C108 H188 P4 Pt2 -","2","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0319","0.0258","","","0.0592","0.0618","","","","","","1.024","","","","has coordinates","242281","2020-10-21","18:00:00",""
"4132285","14.0147","0.0019","18.709","0.003","20.052","0.003","80.503","0.001","87.995","0.001","85.644","0.001","5169.3","1.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H96 Cl2 P2 Pt -","- C48 H96 Cl2 P2 Pt -","- C192 H384 Cl8 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0514","0.0452","","","0.1035","0.1076","","","","","","1.063","","","","has coordinates","242282","2020-10-21","18:00:00",""
"4132286","13.8635","0.0012","18.4284","0.0016","25.106","0.002","83.861","0.002","88.11","0.002","86.673","0.002","6364.3","0.9","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H120 Cl2 P2 Pt -","- C60 H120 Cl2 P2 Pt -","- C240 H480 Cl8 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0671","0.0506","","","0.0966","0.1062","","","","","","1.175","","","","has coordinates","242283","2020-10-21","18:00:00",""
"4132287","23.4195","0.0013","6.1479","0.0004","21.5093","0.0012","90","","114.733","0.003","90","","2812.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0571","0.0444","","","0.1326","0.1403","","","","","","1.028","","","","has coordinates","242284","2020-10-21","18:00:00",""
"4132288","7.826","0.001","10.51","0.002","14.886","0.004","73.77","0.019","78.172","0.015","69.098","0.015","1090.6","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C48 H52 N4 O4 S2 -","2","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","0.71073","MoKα","","0.0918","0.0576","","","0.1302","0.1562","","","","","","1.037","","","","has coordinates","242285","2020-10-21","18:00:00",""
"4132289","34.1594","0.0008","8.4566","0.0002","15.1869","0.0003","90","","91.752","0.001","90","","4385.03","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C184 H224 N16 O16 S8 -","8","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0395","0.035","","","0.0935","0.097","","","","","","1.026","","","","has coordinates","242286","2020-10-21","18:00:00",""
"4132290","11.6237","0.0003","13.4549","0.0004","13.8736","0.0004","90","","104.221","0.001","90","","2103.28","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0443","0.0392","","","0.1147","0.1196","","","","","","0.95","","","","has coordinates","242287","2020-10-21","18:00:00",""
"4132291","11.557","0.004","12.498","0.004","14.777","0.004","90","","90","","90","","2134.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0344","0.0321","","","0.0897","0.0914","","","","","","1.012","","","","has coordinates","242288","2020-10-21","18:00:00",""
"4132292","10.427","0.002","18.683","0.004","25.279","0.005","108.28","0.03","97.96","0.03","91.64","0.03","4617.4","1.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","Benzo-TTF-C4P, TCNQ","Benzo-TTF-calixpyrrole-TCNQ Charge-transfer complex","","- C84.97 H52.97 Cl2.91 N12 S16 -","- C84.97 H52.97 Cl2.91 N12 S16 -","- C169.94 H105.94 Cl5.82 N24 S32 -","2","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71073","MoKα","","0.1738","0.0983","","","0.2056","0.2287","","","","","","1.225","","","","has coordinates","242289","2020-10-21","18:00:00",""
"4132293","11.342","0.002","11.983","0.002","15.853","0.003","103.65","0.03","104.69","0.03","93.17","0.03","2010.1","0.8","223","2","223","2","","","","","","","","3","P -1","-P 1","2","THA TCNQ radical anion","Tetrahexylammonium 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile","","- C36 H56 N5 -","- C36 H56 N5 -","- C72 H112 N10 -","2","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71073","MoKα","","0.1747","0.1026","","","0.2485","0.2697","","","","","","1.323","","","","has coordinates","242290","2020-10-21","18:00:00",""
"4132294","13.319","0.008","38.199","0.02","14.505","0.008","90","","112.908","0.007","90","","6798","7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzo-TTFC4P Chloride","Benzo-TTF-Calix[4]pyrrole radical cation Chloride salt","","- C61 H46 Cl3 N4 S16 -","- C61 H46 Cl3 N4 S16 -","- C244 H184 Cl12 N16 S64 -","4","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71075","MoKα","","0.2458","0.189","","","0.3411","0.3721","","","","","","1.266","","","","has coordinates","242291","2020-10-21","18:00:00",""
"4132295","13.1526","0.0002","19.5199","0.0003","12.3721","0.0002","90","","90","","90","","3176.38","0.09","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C42 H18 F12 -","- C42 H18 F12 -","- C168 H72 F48 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0341","0.0339","","","0.0929","0.0931","","","","","","1.109","","","","has coordinates","242292","2020-10-21","18:00:00",""
"4132296","8.671","0.0004","8.9923","0.0004","9.2524","0.0003","93.693","0.003","100.002","0.003","106.443","0.004","676.46","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 F8 N4 O2 -","- C30 H26 F8 N4 O2 -","- C30 H26 F8 N4 O2 -","1","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.71073","MoKα","","0.0541","0.0397","","","","0.1385","","","","","","0.99","","","","has coordinates","242293","2020-10-21","18:00:00",""
"4132297","5.3834","0.0003","5.7482","0.0003","16.8992","0.0008","90","","97.711","0.002","90","","518.21","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F4 N4 -","- C12 H6 F4 N4 -","- C24 H12 F8 N8 -","2","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0295","0.0294","","","0.0725","0.0726","","","","","","1.091","","","","has coordinates","242294","2020-10-21","18:00:00",""
"4132298","15.3843","0.001","93.285","0.007","53.37","0.004","90","","90","","90","","76593","10","100","2","100","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C51 H12 F24 N6 -","- C51 H12 F24 N6 -","- C1632 H384 F768 N192 -","32","2","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.1842","0.1248","","","0.3158","0.3549","","","","","","1.087","","","","has coordinates","242295","2020-10-21","18:00:00",""
"4132299","19.161","0.0007","34.1885","0.0015","7.1304","0.0004","90","","110.374","0.003","90","","4378.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.42 H16.73 F12 N9.39 O1.64 -","- C32.418 H16.732 F12 N9.388 O1.642 -","- C129.672 H66.928 F48 N37.552 O6.568 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0904","0.0745","","","0.2359","0.2558","","","","","","1.007","","","","has coordinates,has disorder","242296","2020-10-21","18:00:00",""
"4132300","7.5844","0.0001","15.3613","0.0003","37.013","0.0006","90","","90","","90","","4312.25","0.12","123","2","123","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C51 H27 F16 N9 O -","- C51 H27 F16 N9 O -","- C204 H108 F64 N36 O4 -","4","0.25","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0499","0.0494","","","0.1196","0.1197","","","","","","1.259","","","","has coordinates,has disorder","242298","2020-10-21","18:00:00",""
"4132301","9.57","0.0003","9.4056","0.0003","10.632","0.0003","90","","106.84","0.001","90","","915.96","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H12 N6 -","- C21 H12 N6 -","- C42 H24 N12 -","2","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0265","0.0265","","","0.0741","0.0741","","","","","","1.068","","","","has coordinates","242299","2020-10-21","18:00:00",""
"4132302","7.2212","0.0004","12.973","0.0006","8.0959","0.0004","90","","90.812","0.002","90","","758.35","0.07","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Cl2 F4 N6 -","- C14 H6 Cl2 F4 N6 -","- C28 H12 Cl4 F8 N12 -","2","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0311","0.0306","","","0.086","0.0866","","","","","","1.064","","","","has coordinates","242300","2020-10-21","18:00:00",""
"4132303","19.4179","0.0017","19.4179","0.0017","4.9668","0.0004","90","","90","","120","","1621.9","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C27.36 H7.44 F12 N12 O0.36 -","- C27.36 H7.44 F12 N12 O0.36 -","- C54.72 H14.88 F24 N24 O0.72 -","2","0.333333","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.40651","synchrotron","","0.0707","0.0492","","","0.1499","0.1635","","","","","","1.024","","","","has coordinates,has disorder","242301","2020-10-21","18:00:00",""
"4132304","16.393","0.0005","14.535","0.0005","6.4865","0.0002","90","","94.108","0.002","90","","1541.58","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F8 N4 -","- C18 H6 F8 N4 -","- C72 H24 F32 N16 -","4","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0318","0.0274","","","0.0719","0.0764","","","","","","1.066","","","","has coordinates","242302","2020-10-21","18:00:00",""
"4132305","9.1114","0.0002","9.3977","0.0002","21.5596","0.0005","90","","90","","90","","1846.07","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C84 H100 N4 O4 S4 -","4","1","","Picazo, Elias; Anthony, Sarah M.; Giroud, Maude; Simon, Adam; Miller, Margeaux A.; Houk, K. N.; Garg, Neil K.","Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers.","Journal of the American Chemical Society","2018","140","24","7605","7610","10.1021/jacs.8b02875","","","1.54178","CuKα","","0.0228","0.0219","","","0.058","0.0582","","","","","","1.085","","","","has coordinates","242303","2020-10-21","18:00:00",""
"4132306","10.1113","0.0014","14.6016","0.0018","11.3834","0.001","90","","90","","90","","1680.7","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","0.5","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","MoKα","","0.0526","0.0353","","","0.0642","0.0706","","","","","","1.056","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132307","9.2015","0.0007","10.7157","0.0008","15.6589","0.0012","76.778","0.007","74.207","0.007","84.676","0.006","1445.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Mn N7 O7 -","- C27 H30 Mn N7 O7 -","- C54 H60 Mn2 N14 O14 -","2","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","x-ray","0.71073","MoKα","","0.0722","0.0455","","","0.088","0.0971","","","","","","1.022","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132308","12.403","0.003","33.488","0.007","12.991","0.003","90","","96.43","0.03","90","","5362","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C53 H49.5 Mn2 N7.5 O10.5 -","- C49.5 H46.5 Mn2 N7.5 O10.5 -","- C198 H186 Mn8 N30 O42 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0888","0.0787","","","0.2085","0.2147","","","","","","1.074","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132309","12.422","0.003","33.152","0.007","13.004","0.003","90","","95.44","0.03","90","","5331","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H48 Mn2 N7.5 O8.5 -","- C48.5 H44 Mn2 N7.5 O8.5 -","- C194 H176 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0776","0.0678","","","0.184","0.1899","","","","","","1.083","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132310","12.3848","0.0017","33.886","0.005","12.8929","0.0012","90","","99.101","0.01","90","","5342.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H52 Br0.5 Mn2 N6 O11 -","- C39 H33 Br0.5 Mn2 N6 O8 -","- C156 H132 Br2 Mn8 N24 O32 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.1541","0.077","","","0.1878","0.2169","","","","","","0.92","","","","has coordinates,has disorder","242304","2020-10-21","18:00:00",""
"4132311","12.461","0.003","33.626","0.007","13.016","0.003","90","","96.09","0.03","90","","5423","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51.5 H45.5 Mn2 N7.5 O8.5 -","- C44.5 H37.5 Mn2 N7.5 O8.5 -","- C178 H150 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","Synchrotron","","0.0914","0.083","","","0.258","0.2682","","","","","","1.068","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132312","12.418","0.003","32.716","0.007","12.989","0.003","90","","94.42","0.03","90","","5261","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C49.5 H45 Mn2 N7.5 O7.5 -","- C39 H33 Mn2 N7.5 O7.5 -","- C156 H132 Mn8 N30 O30 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0831","0.0719","","","0.1936","0.2004","","","","","","1.027","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132313","13.9014","0.0013","11.8934","0.0012","20.261","0.002","90","","91.068","0.005","90","","3349.3","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","PG-211","","- C28.04 H47 B Cl1.02 Mo N6 O4.04 P -","- C28 H47 B Cl Mo N6 O4 P -","- C112 H188 B4 Cl4 Mo4 N24 O16 P4 -","4","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0669","0.0525","","","0.131","0.1401","","","","","","1.092","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132314","17.2762","0.0007","14.4377","0.0004","16.8995","0.0007","90","","114.912","0.003","90","","3823","0.3","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","PG-164","","- C30 H56 B Mo N6 Na O7 P -","- C30 H56 B Mo N6 Na O7 P -","- C120 H224 B4 Mo4 N24 Na4 O28 P4 -","4","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0912","0.0585","","","0.1322","0.1452","","","","","","1.026","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132315","13.5487","0.0004","14.7499","0.0005","16.1417","0.0005","109.37","0.002","93.449","0.003","98.756","0.003","2986.48","0.17","123","","123","","","","","","","","","7","P -1","-P 1","2","","PG-180","","- C27 H39 B Mo N6 O2 P -","- C27 H39 B Mo N6 O2 P -","- C108 H156 B4 Mo4 N24 O8 P4 -","4","2","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0811","0.0583","","","0.1513","0.1616","","","","","","0.996","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132316","11.9565","0.0016","25.378","0.004","16.08","0.002","90","","104.783","0.005","90","","4717.7","1.1","123","","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","PG-167.3","","- C79 H118 B4 Mo4 N24 O8 P2 Si2 -","- C79 H118 B4 Mo4 N24 O8 P2 Si2 -","- C158 H236 B8 Mo8 N48 O16 P4 Si4 -","2","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0771","0.0563","","","0.1176","0.1321","","","","","","1.126","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132317","13.5471","0.0004","14.2491","0.0004","16.299","0.0005","109.005","0.002","95.885","0.002","95.334","0.002","2932.26","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 B Mo N6 O2 P -","- C26 H38 B Mo N6 O2 P -","- C104 H152 B4 Mo4 N24 O8 P4 -","4","2","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0344","0.026","","","0.0632","0.0651","","","","","","0.9932","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132318","18.5406","0.0005","24.8594","0.0006","19.5832","0.0005","90","","90","","90","","9026.1","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C280 H512 B8 K8 Mo8 N48 O88 Si4 -","4","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0611","0.0296","","","0.0475","0.0515","","","","","","0.83","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132319","13.3366","0.0008","16.7705","0.0011","26.6283","0.0018","103.244","0.002","93.358","0.002","93.082","0.002","5773.5","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","P.G.-451","","- C100 H160 B2 Mo2 N12 O4 Si10 -","- C100 H160 B2 Mo2 N12 O4 Si10 -","- C200 H320 B4 Mo4 N24 O8 Si20 -","2","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.098","0.0491","","","0.0883","0.1019","","","","","","0.94","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132320","10.6225","0.0006","5.2027","0.0003","17.6456","0.001","90","","104.888","0.006","90","","942.46","0.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O -","- C12 H12 O -","- C48 H48 O4 -","4","2","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0786","0.0479","","","0.1235","0.1526","","","","","","1.096","","","","has coordinates","242306","2020-10-21","18:00:00",""
"4132321","23.4971","0.0007","23.4971","0.0007","10.1419","0.0004","90","","90","","120","","4849.3","0.3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H14 O -","- C13 H14 O -","- C234 H252 O18 -","18","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0542","0.0447","","","0.1012","0.1061","","","","","","1.057","","","","has coordinates","242307","2020-10-21","18:00:00",""
"4132322","8.5028","0.0004","12.2706","0.0005","15.7004","0.0008","72.017","0.004","79.272","0.004","85.399","0.004","1530.38","0.13","123","","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 O5 Si -","- C31 H48 O5 Si -","- C62 H96 O10 Si2 -","2","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.1673","0.1034","","","0.2626","0.3077","","","","","","1.035","","","","has coordinates,has disorder","242308","2020-10-21","18:00:00",""
"4132323","14.502","0.004","16.495","0.004","24.257","0.006","90","","90","","90","","5803","3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 O5 Si -","- C28 H48 O5 Si -","- C224 H384 O40 Si8 -","8","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.1187","0.0761","","","0.1818","0.2142","","","","","","1.061","","","","has coordinates,has disorder","242309","2020-10-21","18:00:00",""
"4132324","9.1557","0.0014","11.8598","0.0019","21.294","0.003","90","","90","","90","","2312.2","0.6","123","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 O3 Si -","- C23 H40 O3 Si -","- C92 H160 O12 Si4 -","4","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.0612","0.0526","","","0.1453","0.1591","","","","","","1.077","","","","has coordinates","242310","2020-10-21","18:00:00",""
"4132325","9.04574","0.00005","25.29692","0.00013","19.03833","0.00011","90","","103.191","0.0005","90","","4241.58","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Br2 N2 Ni -","- C50 H52 Br2 N2 Ni -","- C200 H208 Br8 N8 Ni4 -","4","1","","Vaccarello, David N.; O'Connor, Kyle S; Iacono, Pasquale; Rose, Jeffrey M.; Cherian, Anna E.; Coates, Geoffrey W.","Synthesis of Semicrystalline Polyolefin Materials: Precision Methyl Branching via Stereoretentive Chain Walking.","Journal of the American Chemical Society","2018","140","20","6208","6211","10.1021/jacs.8b02963","","x-ray","1.54184","CuKα","","0.0274","0.0254","","","0.0661","0.0671","","","","","","1.036","","","","has coordinates","242311","2020-10-21","18:00:00",""
"4132326","15.2905","0.0002","21.2936","0.0004","21.9394","0.0005","73.6996","0.0019","77.0624","0.0015","79.2781","0.0015","6623.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 N9 P2 Ru -","- C54 H45 F12 N9 P2 Ru -","- C216 H180 F48 N36 P8 Ru4 -","4","2","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","1.54184","CuKα","","0.1057","0.0807","","","0.2256","0.2551","","","","","","1.024","","","","has coordinates,has disorder","242312","2020-10-21","18:00:00",""
"4132327","14.9604","0.0003","23.8784","0.0005","24.1527","0.0006","90","","104.537","0.002","90","","8351.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 F12 N9 Os P2 -","- C78 H72 F12 N9 Os P2 -","- C312 H288 F48 N36 Os4 P8 -","4","1","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","0.71073","MoKα","","0.0721","0.0533","","","0.1482","0.1561","","","","","","1.083","","","","has coordinates","242312","2020-10-21","18:00:00",""
"4132328","15.2657","0.0003","21.4783","0.0004","21.9227","0.0005","73.534","0.002","76.39","0.002","80.261","0.002","6659.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 N9 Os P2 -","- C54 H45 F12 N9 Os P2 -","- C216 H180 F48 N36 Os4 P8 -","4","2","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","1.54184","CuKα","","0.0895","0.062","","","0.1663","0.1836","","","","","","0.994","","","","has coordinates,has disorder","242312","2020-10-21","18:00:00",""
"4132329","10.718","0.005","11.09","0.005","11.966","0.005","109.125","0.005","106.64","0.005","108.575","0.005","1146.2","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","1","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1991","0.0728","","","0.1669","0.2043","","","","","","0.79","","","","has coordinates","242313","2020-10-21","18:00:00",""
"4132330","18.382","0.017","11.34","0.01","23.79","0.02","90","","111.405","0.012","90","","4617","7","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C108 H68 Fe2 N12 O6 -","- C108 H68 Fe2 N12 O6 -","- C216 H136 Fe4 N24 O12 -","2","0.5","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.382","0.0724","","","0.1735","0.2829","","","","","","0.734","","","","has coordinates","242314","2020-10-21","18:00:00",""
"4132331","17.481","0.006","13.53","0.005","21.851","0.008","90","","93.37","0.007","90","","5159","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H53 N5 O2 Zn -","- C64 H53 N5 O2 Zn -","- C256 H212 N20 O8 Zn4 -","4","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1585","0.0803","","","0.1303","0.1541","","","","","","1.044","","","","has coordinates","242315","2020-10-21","18:00:00",""
"4132333","24.997","0.002","5.1956","0.0005","18.1896","0.0017","90","","104.221","0.003","90","","2290","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H19 Br O2 -","- C10 H19 Br O2 -","- C80 H152 Br8 O16 -","8","2","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","1.54184","CuKα","","0.0507","0.0484","","","0.1317","0.1332","","","","","","1.022","","","","has coordinates,has disorder","242317","2020-10-21","18:00:00",""
"4132335","13.6584","0.0011","5.684","0.0005","16.1484","0.0014","90","","109.058","0.006","90","","1184.95","0.18","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C52 H68 Br4 O8 -","4","1","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","0.71073","MoKα","","0.0193","0.0184","","","0.0476","0.048","","","","","","1.099","","","","has coordinates","242319","2020-10-21","18:00:00",""
"4132338","19.9556","0.0011","22.8307","0.0014","21.9438","0.0012","90","","91.054","0.002","90","","9995.9","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H38 N2 O8 S2 Zn2 -","- C53 H38 N2 O8 S2 Zn2 -","- C318 H228 N12 O48 S12 Zn12 -","6","1.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.079","0.042","","","0.0852","0.0944","","","","","","1.021","","","","has coordinates","242322","2020-10-21","18:00:00",""
"4132340","11.291","0.004","15.799","0.005","18.292","0.006","90","","90","","90","","3263","1.9","220","2","220","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C63 H40 Br2 N4 O11 Zn2 -","- C50 H24 Br2 N2 O8 Zn2 -","- C50 H24 Br2 N2 O8 Zn2 -","1","0.125","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0829","0.0571","","","0.1431","0.1544","","","","","","1.027","","","","has coordinates","242324","2020-10-21","18:00:00",""
"4132342","8.9034","0.0003","10.004","0.0004","15.0137","0.0006","92.406","0.001","105.717","0.001","113.904","0.001","1159.22","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O3 -","- C29 H24 N4 O3 -","- C58 H48 N8 O6 -","2","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0688","0.043","","","0.0894","0.0991","","","","","","1.005","","","","has coordinates","242326","2020-10-21","18:00:00",""
"4132344","12.9265","0.0008","27.1065","0.0017","11.5966","0.0006","90","","105.835","0.002","90","","3909.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Br2 N4 O6 -","- C38 H32 Br2 N4 O6 -","- C152 H128 Br8 N16 O24 -","4","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0538","0.0432","","","0.1072","0.1123","","","","","","1.032","","","","has coordinates","242328","2020-10-21","18:00:00",""
"4132346","11.149","0.002","15.869","0.003","22.608","0.005","90","","90","","90","","3999.9","1.4","220","2","220","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C82 H56 Br2 N6 O14 Zn2 -","- C14 H6 Br0.5 N0.5 O2 Zn0.5 -","- C56 H24 Br2 N2 O8 Zn2 -","4","0.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.1089","0.0697","","","0.1934","0.2279","","","","","","1.039","","","","has coordinates","242330","2020-10-21","18:00:00",""
"4132348","9.3937","0.0003","33.5488","0.0013","11.4358","0.0004","90","","92.795","0.001","90","","3599.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br2 N2 O3 -","- C19 H16 Br2 N2 O3 -","- C152 H128 Br16 N16 O24 -","8","2","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0681","0.0553","","","0.1117","0.1149","","","","","","1.329","","","","has coordinates,has disorder","242332","2020-10-21","18:00:00",""
"4132349","15.7656","0.001","22.972","0.0015","23.9458","0.0015","90","","94.083","0.002","90","","8650.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N6 O7 -","- C50 H44 N6 O7 -","- C400 H352 N48 O56 -","8","2","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.1114","0.0813","","","0.2115","0.2322","","","","","","1.058","","","","has coordinates","242333","2020-10-21","18:00:00",""
"4132350","17.2113","0.0008","9.6042","0.0004","25.5421","0.0012","90","","109.466","0.002","90","","3980.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N6 O6 -","- C48 H40 N6 O6 -","- C192 H160 N24 O24 -","4","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0634","0.0451","","","0.0952","0.103","","","","","","1.051","","","","has coordinates","242334","2020-10-21","18:00:00",""
"4132351","9.4235","0.0012","20.518","0.003","18.322","0.002","90","","99.732","0.005","90","","3491.6","0.8","273","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0681","0.0644","","","0.1927","0.1971","","","","","","1.082","","","","has coordinates","242335","2020-10-21","18:00:00",""
"4132352","9.4065","0.001","14.5426","0.0016","11.1202","0.0012","90","","91.584","0.003","90","","1520.6","0.3","162","","162.9","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0375","0.0369","","","0.0905","0.091","","","","","","1.053","","","","has coordinates","242336","2020-10-21","18:00:00",""
"4132353","7.5257","0.001","13.677","0.0017","17.867","0.002","90","","90","","90","","1839","0.4","153","","153.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 I O3 -","- C19 H25 I O3 -","- C76 H100 I4 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0589","0.0587","","","0.1518","0.1522","","","","","","1.076","","","","has coordinates","242337","2020-10-21","18:00:00",""
"4132354","7.5021","0.0005","18.2651","0.0011","10.4008","0.0006","90","","99.019","0.002","90","","1407.57","0.15","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0452","0.0421","","","0.1117","0.1139","","","","","","1.075","","","","has coordinates","242338","2020-10-21","18:00:00",""
"4132355","14.5021","0.0003","7.1154","0.0001","16.3667","0.0003","90","","115.269","0.001","90","","1527.25","0.05","273","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0385","0.037","","","0.1028","0.1042","","","","","","1.067","","","","has coordinates","242339","2020-10-21","18:00:00",""
"4132356","10.43","0.003","11.159","0.003","13.768","0.004","93.224","0.003","99.919","0.004","93.288","0.005","1572.3","0.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N5 O4 Rh -","- C72 H84 N5 O4 Rh -","- C72 H84 N5 O4 Rh -","1","0.5","","Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi","Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.","Journal of the American Chemical Society","2018","140","21","6656","6660","10.1021/jacs.8b03029","","","0.71073","MoKα","","0.0513","0.0504","","","0.1556","0.1564","","","","","","1.31","","","","has coordinates,has disorder","242340","2020-10-21","18:00:00",""
"4132357","9.813","0.002","11.262","0.002","11.59","0.002","62.96","0.03","75.66","0.03","68.08","0.03","1053.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N5 O2 Rh -","- C52 H44 N5 O2 Rh -","- C52 H44 N5 O2 Rh -","1","0.5","","Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi","Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.","Journal of the American Chemical Society","2018","140","21","6656","6660","10.1021/jacs.8b03029","","","0.71073","MoKα","","0.0416","0.0412","","","0.0943","0.0946","","","","","","1.146","","","","has coordinates,has disorder","242341","2020-10-21","18:00:00",""
"4132358","26.6512","0.0014","26.6512","0.0014","7.0521","0.0005","90","","90","","90","","5009","0.5","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C62 H44 N4 -","- C62 H44 N4 -","- C248 H176 N16 -","4","0.25","","di Gregorio, Maria Chiara; Ranjan, Priyadarshi; Houben, Lothar; Shimon, Linda J. W.; Rechav, Katya; Lahav, Michal; van der Boom, Milko E.","Metal-Coordination-Induced Fusion Creates Hollow Crystalline Molecular Superstructures.","Journal of the American Chemical Society","2018","140","29","9132","9139","10.1021/jacs.8b03055","","","0.71073","MoKα","","0.0984","0.0691","","","0.168","0.1869","","","","","","1.125","","","","has coordinates","242342","2020-10-21","18:00:00",""
"4132359","8.7786","0.0008","8.2454","0.0007","10.7228","0.0009","90","","110.205","0.004","90","","728.39","0.11","100","2","99.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C30 H30 Br2 O8 -","2","1","","Lee, Ansoo; Betori, Rick C.; Crane, Erika A.; Scheidt, Karl A.","An Enantioselective Cross-Dehydrogenative Coupling Catalysis Approach to Substituted Tetrahydropyrans.","Journal of the American Chemical Society","2018","140","20","6212","6216","10.1021/jacs.8b03063","","","0.71073","MoKα","","0.0341","0.0268","","","0.0635","0.0662","","","","","","1.037","","","","has coordinates","242343","2020-10-21","18:00:00",""
"4132360","10.8385","0.0014","18.879","0.003","13.905","0.002","90","","91.968","0.003","90","","2843.6","0.7","100","2","100.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H45 F24 N8 P4 S2 -","- C53 H45 F24 N8 P4 S2 -","- C106 H90 F48 N16 P8 S4 -","2","1","","Roy, Indranil; Bobbala, Sharan; Zhou, Jiawang; Nguyen, Minh T.; Nalluri, Siva Krishna Mohan; Wu, Yilei; Ferris, Daniel P.; Scott, Evan Alexander; Wasielewski, Michael R.; Stoddart, J. Fraser","ExTzBox: A Glowing Cyclophane for Live-Cell Imaging.","Journal of the American Chemical Society","2018","140","23","7206","7212","10.1021/jacs.8b03066","","","0.71073","MoKα","","0.1114","0.0892","","","0.2169","0.2429","","","","","","1.075","","","","has coordinates,has disorder","242344","2020-10-21","18:00:00",""
"4132361","9.881","0.011","9.166","0.01","11.04","0.012","90","","110.96","0.02","90","","933.7","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N5 O7 S -","- C16 H25 N5 O7 S -","- C32 H50 N10 O14 S2 -","2","1","","Mailyan, Artur K.; Chen, Joanna L.; Li, Weiwei; Keller, Arturo A.; Sternisha, Shawn M.; Miller, Brian G.; Zakarian, Armen","Short Total Synthesis of [<sup>15</sup>N<sub>5</sub>]-Cylindrospermopsins from <sup>15</sup>NH<sub>4</sub>Cl Enables Precise Quantification of Freshwater Cyanobacterial Contamination.","Journal of the American Chemical Society","2018","140","18","6027","6032","10.1021/jacs.8b03071","","","0.71073","MoKα","","0.1197","0.0711","","","0.1595","0.1808","","","","","","1.038","","","","has coordinates","242345","2020-10-21","18:00:00",""
"4132362","12.9375","0.0002","9.6105","0.0002","10.1863","0.0002","90","","97.313","0.001","90","","1256.22","0.04","170","2","170.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F4 -","- C14 H16 F4 -","- C56 H64 F16 -","4","1","","Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong","Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.","Journal of the American Chemical Society","2018","140","19","6169","6175","10.1021/jacs.8b03077","","","1.34139","GaKα","","0.0447","0.0407","","","0.1053","0.1089","","","","","","1.062","","","","has coordinates","242346","2020-10-21","18:00:00",""
"4132363","8.509","0.004","15.545","0.007","13.953","0.007","90","","103.973","0.009","90","","1791","1.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cu F2 N2 O6 -","- C16 H20 Cu F2 N2 O6 -","- C64 H80 Cu4 F8 N8 O24 -","4","1","","Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong","Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.","Journal of the American Chemical Society","2018","140","19","6169","6175","10.1021/jacs.8b03077","","","0.71073","MoKα","","0.0939","0.0444","","","0.0926","0.1087","","","","","","1.001","","","","has coordinates","242347","2020-10-21","18:00:00",""
"4132364","10.3318","0.0009","10.4224","0.0009","13.6723","0.0012","78.6657","0.0011","75.4327","0.001","75.5399","0.0011","1365.7","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 Br O7 -","- C31 H31 Br O7 -","- C62 H62 Br2 O14 -","2","1","","Holmbo, Stephen D.; Pronin, Sergey V.","A Concise Approach to Anthraquinone-Xanthone Heterodimers.","Journal of the American Chemical Society","2018","140","15","5065","5068","10.1021/jacs.8b03110","","","0.71073","MoKα","","0.0361","0.0319","","","0.084","0.0864","","","","","","1.045","","","","has coordinates","242348","2020-10-21","18:00:00",""
"4132365","9.5667","0.0013","9.7395","0.0011","23.46","0.003","90","","90","","90","","2185.9","0.5","99","2","99.51","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F6 O2 -","- C24 H23 F6 O2 -","- C96 H92 F24 O8 -","4","1","","Basnet, Prakash; Dhungana, Roshan K.; Thapa, Surendra; Shrestha, Bijay; Kc, Shekhar; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective β,δ-Diarylation of Unactivated Olefins in Ketimines via Ligand-Enabled Contraction of Transient Nickellacycles: Rapid Access to Remotely Diarylated Ketones.","Journal of the American Chemical Society","2018","140","25","7782","7786","10.1021/jacs.8b03163","","","0.71073","MoKα","","0.2225","0.0892","","","0.1357","0.1751","","","","","","0.977","","","","has coordinates","242349","2020-10-21","18:00:00",""
"4132366","10.0521","0.0004","12.6929","0.0008","15.0985","0.0008","90","","90","","90","","1926.42","0.18","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O3 S -","- C24 H18 O3 S -","- C96 H72 O12 S4 -","4","1","","Jia, Shiqi; Chen, Zhili; Zhang, Nan; Tan, Yu; Liu, Yidong; Deng, Jun; Yan, Hailong","Organocatalytic Enantioselective Construction of Axially Chiral Sulfone-Containing Styrenes.","Journal of the American Chemical Society","2018","140","23","7056","7060","10.1021/jacs.8b03211","","","0.71073","MoKα","","0.0546","0.0411","","","0.081","0.0899","","","","","","1.032","","","","has coordinates","242350","2020-10-21","18:00:00",""
"4132367","10.3789","0.0002","8.0553","0.0002","29.9399","0.0007","90","","90","","90","","2503.13","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0543","0.045","","","0.1063","0.1132","","","","","","1.057","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132368","10.1733","0.0002","9.2676","0.0002","26.9341","0.0008","90","","90","","90","","2539.4","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0621","0.0463","","","0.1053","0.1151","","","","","","1.031","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132369","9.8903","0.0007","4.6929","0.0003","11.8569","0.0009","90","","96.707","0.003","90","","546.56","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0882","0.0556","","","0.1102","0.1254","","","","","","1.023","","","","has coordinates","242352","2020-10-21","18:00:00",""
"4132370","6.51","0.0003","8.6267","0.0003","17.3423","0.0007","90","","90","","90","","973.94","0.07","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C40 H32 N8 S8 -","4","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0498","0.0377","","","0.0692","0.0754","","","","","","1.048","","","","has coordinates","242353","2020-10-21","18:00:00",""
"4132371","18.85077","0.00014","15.97613","0.0001","38.4073","0.0003","90","","95.6287","0.0006","90","","11511.1","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H162 Cl8 N2 O24 -","- C110 H162 Cl8 N2 O24 -","- C440 H648 Cl32 N8 O96 -","4","1","","Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J","Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile.","Journal of the American Chemical Society","2018","140","19","6049","6052","10.1021/jacs.8b03394","","x-ray","0.6889","","","0.1369","0.1111","","","0.3306","0.3547","","","","","","1.334","","","","has coordinates,has disorder","242354","2020-10-21","18:00:00",""
"4132372","15.2276","0.00014","16.08441","0.00015","20.7588","0.0002","90","","106.576","0.001","90","","4873.11","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 Cl N O10 -","- C46 H84 Cl N O10 -","- C184 H336 Cl4 N4 O40 -","4","1","","Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J","Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile.","Journal of the American Chemical Society","2018","140","19","6049","6052","10.1021/jacs.8b03394","","x-ray","1.54184","CuKα","","0.0555","0.0545","","","0.1511","0.1521","","","","","","1.035","","","","has coordinates","242355","2020-10-21","18:00:00",""
"4132373","9.2197","0.0015","20.178","0.003","18.246","0.003","90","","103.57","0.002","90","","3299.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 B Cl Li2 O2 Si4 -","- C24 H52 B Cl Li2 O2 Si4 -","- C96 H208 B4 Cl4 Li8 O8 Si16 -","4","1","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.0693","0.0509","","","0.1173","0.1259","","","","","","1.073","","","","has coordinates,has disorder","242356","2020-10-21","18:00:00",""
"4132374","11.9337","0.0007","17.0324","0.001","11.6249","0.0007","90","","90","","90","","2362.9","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H36 B Cl Si4 -","- C16 H36 B Cl Si4 -","- C64 H144 B4 Cl4 Si16 -","4","0.5","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.025","0.0244","","","0.0693","0.0699","","","","","","1.01","","","","has coordinates","242357","2020-10-21","18:00:00",""
"4132375","10.4618","0.0005","6.6429","0.0003","12.8407","0.0006","90","","112.484","0.002","90","","824.55","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Shen, Peng-Xiang; Hu, Liang; Shao, Qian; Hong, Kai; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Arylation of Free Carboxylic Acids.","Journal of the American Chemical Society","2018","140","21","6545","6549","10.1021/jacs.8b03509","","x-ray","1.54178","CuKα","","0.0367","0.0351","","","0.0893","0.0909","","","","","","1.076","","","","has coordinates","242358","2020-10-21","18:00:00",""
"4132376","8.7271","0.0016","13.977","0.003","16.68","0.003","92.757","0.005","98.833","0.005","91.076","0.005","2007.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","2","","Wang, Chengpeng; Dong, Guangbin","Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.","Journal of the American Chemical Society","2018","140","19","6057","6061","10.1021/jacs.8b03530","","","0.71073","MoKα","","0.1255","0.0885","","","0.2132","0.2371","","","","","","1.049","","","","has coordinates,has disorder","242359","2020-10-21","18:00:00",""
"4132377","13.6378","0.0008","13.6481","0.0008","19.0182","0.0011","93.601","0.002","102.19","0.002","111.741","0.002","3174.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Fe O2 -","- C26 H30 Fe O2 -","- C156 H180 Fe6 O12 -","6","3","","Wang, Chengpeng; Dong, Guangbin","Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.","Journal of the American Chemical Society","2018","140","19","6057","6061","10.1021/jacs.8b03530","","","0.71073","MoKα","","0.0606","0.0382","","","0.077","0.0844","","","","","","1.011","","","","has coordinates","242360","2020-10-21","18:00:00",""
"4132378","16.4092","0.0016","16.4773","0.0016","28.5237","0.0013","92.704","0.006","92.421","0.006","107.771","0.009","7323","1.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C164 H150.76 N10 O12 -","- C164 H150.916 N10 O12 -","- C328 H301.832 N20 O24 -","2","1","","Schuster, Nathaniel J.; Hernández Sánchez, Raúl; Bukharina, Daria; Kotov, Nicholas A.; Berova, Nina; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","A Helicene Nanoribbon with Greatly Amplified Chirality.","Journal of the American Chemical Society","2018","140","20","6235","6239","10.1021/jacs.8b03535","","x-ray","1.54184","CuKα","","0.2495","0.197","","","0.4947","0.5452","","","","","","1.74","","","","has coordinates,has disorder","242361","2020-10-21","18:00:00",""
"4132379","8.2162","0.0001","18.1432","0.0002","9.8241","0.0001","90","","110.383","0.004","90","","1372.76","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu 1617","","","- C31 H31 Br N Ni O2 P -","- C31 H31 Br N Ni O2 P -","- C62 H62 Br2 N2 Ni2 O4 P2 -","2","1","","Tenneti, Srinivasarao; Biswas, Souvagya; Cox, Glen Adam; Mans, Daniel J.; Lim, Hwan Jung; RajanBabu, T. V.","Broadly Applicable Stereoselective Syntheses of Serrulatane, Amphilectane Diterpenes, and Their Diastereoisomeric Congeners Using Asymmetric Hydrovinylation for Absolute Stereochemical Control.","Journal of the American Chemical Society","2018","140","31","9868","9881","10.1021/jacs.8b03549","","x-ray","0.71073","MoKα","","0.028","0.0237","","","0.0523","0.0538","","","","","","1.029","","","","has coordinates","242362","2020-10-21","18:00:00",""
"4132380","22.0032","0.0015","8.3103","0.0005","22.7142","0.0014","90","","90.349","0.003","90","","4153.3","0.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 N2 P -","- C22 H33 N2 P -","- C176 H264 N16 P8 -","8","1","","Borah, Arun Jyoti; Shi, Zhuangzhi","Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization.","Journal of the American Chemical Society","2018","140","19","6062","6066","10.1021/jacs.8b03560","","","0.71073","MoKα","","0.0512","0.0424","","","0.1069","0.1122","","","","","","1.049","","","","has coordinates","242363","2020-10-21","18:00:00",""
"4132381","33.63","0.004","7.9364","0.0009","20.078","0.003","90","","115.091","0.004","90","","4853.2","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C248 H272 N16 O16 -","8","2","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0804","0.0597","","","0.1465","0.1579","","","","","","1.036","","","","has coordinates","242364","2020-10-21","18:00:00",""
"4132382","23.384","0.005","4.7955","0.0011","29.08","0.006","90","","94.542","0.003","90","","3250.7","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C160 H136 N24 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0617","0.0515","","","0.1501","0.1647","","","","","","1.135","","","","has coordinates","242365","2020-10-21","18:00:00",""
"4132383","13.6466","0.0003","9.3168","0.0002","27.5704","0.0007","90","","90","","90","","3505.37","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.0761","0.0615","","","0.1617","0.1853","","","","","","1.183","","","","has coordinates","242366","2020-10-21","18:00:00",""
"4132384","19.5302","0.0014","19.5302","0.0014","18.7188","0.0015","90","","90","","90","","7139.9","0.9","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C336 H320 N32 O16 -","16","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.1332","0.1048","","","0.2637","0.2904","","","","","","1.088","","","","has coordinates","242367","2020-10-21","18:00:00",""
"4132385","10.34417","0.00019","16.5497","0.0003","21.0086","0.0004","90","","105.661","0.0008","90","","3463.01","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H6 B F11 -","- C19 H6 B F11 -","- C152 H48 B8 F88 -","8","2","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54187","CuKα","","0.0739","0.0438","","","0.0987","0.1291","","","","","","1.149","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132386","8.1093","0.0002","12.3368","0.0003","16.6982","0.0003","86.58","0.002","77.534","0.002","86.696","0.002","1626.53","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","2","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54184","CuKα","","0.057","0.0495","","","0.132","0.137","","","","","","1.084","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132387","22.6526","0.0015","7.9132","0.0005","6.8187","0.0004","90","","93.51","0.006","90","","1219.99","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54184","CuKα","","0.097","0.0797","","","0.2038","0.2272","","","","","","1.073","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132388","13.6723","0.00017","7.88868","0.00008","24.841","0.0003","90","","90.7992","0.001","90","","2679","0.05","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C128 H88 N8 O40 -","8","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54187","CuKα","","0.04","0.0365","","","0.099","0.1018","","","","","","1.055","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132389","7.711","0.0005","10.52","0.0006","10.5887","0.0006","64.76","0.006","79.688","0.005","86.397","0.005","764.31","0.09","128","","128","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","x-ray","1.54184","CuKα","","0.0711","0.066","","","0.2731","0.2814","","","","","","1.2819","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132390","7.082","0.0006","10.1905","0.0008","22.8339","0.0018","90","","90","","90","","1647.9","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Chen, Gen-Qiang; Lin, Bi-Jin; Huang, Jia-Ming; Zhao, Ling-Yu; Chen, Qi-Shu; Jia, Shi-Peng; Yin, Qin; Zhang, Xumu","Design and Synthesis of Chiral oxa-Spirocyclic Ligands for Ir-Catalyzed Direct Asymmetric Reduction of Bringmann's Lactones with Molecular H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","26","8064","8068","10.1021/jacs.8b03642","","x-ray","1.54178","CuKα","","0.0264","0.025","","","0.0627","0.0636","","","","","","1.043","","","","has coordinates","242369","2020-10-21","18:00:00",""
"4132391","26.2885","0.0009","8.8634","0.0003","8.7105","0.0003","90","","94.287","0.002","90","","2023.92","0.12","299","2","299.09","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 I4 N2 O2 Pb -","- C44 H36 I4 N2 O2 Pb -","- C88 H72 I8 N4 O4 Pb2 -","2","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0496","0.0452","","","0.1164","0.1208","","","","","","1.046","","","","has coordinates","242370","2020-10-21","18:00:00",""
"4132392","12.4181","0.0003","12.5652","0.0004","23.8888","0.0007","101.096","0.0019","104.074","0.0019","90.7065","0.0018","3541.18","0.18","299","2","299.11","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 I8 N4 O6 Pb2 -","- C56 H70 I8 N4 O6 Pb2 -","- C112 H140 I16 N8 O12 Pb4 -","2","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0636","0.0429","","","0.098","0.1071","","","","","","1.019","","","","has coordinates,has disorder","242371","2020-10-21","18:00:00",""
"4132393","23.0465","0.001","8.8619","0.0004","8.2792","0.0004","90","","95.2834","0.0019","90","","1683.72","0.13","299","2","299.11","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 I4 N2 O2 Pb -","- C26 H32 I4 N2 O2 Pb -","- C52 H64 I8 N4 O4 Pb2 -","2","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.04","0.0374","","","0.1064","0.1097","","","","","","1.104","","","","has coordinates","242372","2020-10-21","18:00:00",""
"4132394","49.3776","0.0013","8.489","0.0002","9.448","0.0002","90","","94.9453","0.0013","90","","3945.54","0.16","299","2","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H36 I4 N2 O2 Pb -","- C38 H36 I4 N2 O2 Pb -","- C152 H144 I16 N8 O8 Pb4 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0285","0.0238","","","0.0706","0.0739","","","","","","1.087","","","","has coordinates","242373","2020-10-21","18:00:00",""
"4132395","12.4275","0.0003","12.4001","0.0003","48.36","0.0012","90","","95.8609","0.0016","90","","7413.4","0.3","299","","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H32 I4 N2 O2 Pb -","- C36 H32 I4 N2 O2 Pb -","- C288 H256 I32 N16 O16 Pb8 -","8","2","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0774","0.068","","","0.175","0.1812","","","","","","1.044","","","","has coordinates","242374","2020-10-21","18:00:00",""
"4132396","12.5228","0.0017","12.4668","0.0017","39.555","0.006","90","","97.668","0.003","90","","6120.1","1.5","296","2","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H56 I8 N4 O4 Pb2 -","- C48 H56 I8 N4 O4 Pb2 -","- C192 H224 I32 N16 O16 Pb8 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0414","0.0384","","","0.0891","0.0902","","","","","","1.044","","","","has coordinates","242375","2020-10-21","18:00:00",""
"4132397","53.3048","0.0016","6.1727","0.0002","12.5651","0.0004","90","","90.318","0.002","90","","4134.3","0.2","299","2","299.18","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 I4 N2 O2 Pb -","- C40 H40 I4 N2 O2 Pb -","- C160 H160 I16 N8 O8 Pb4 -","4","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0792","0.0551","","","0.1584","0.1835","","","","","","1.068","","","","has coordinates","242376","2020-10-21","18:00:00",""
"4132398","16.45","0.0003","16.45","0.0003","16.45","0.0003","90","","90","","90","","4451.41","0.14","100","","100","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2(BF4)0.33","","","- C48 H48 B4 F16 Fe12 N72 -","- C48 H48 B4 F16 Fe12 N72 -","- C96 H96 B8 F32 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.018","3.445","","","","","","","has coordinates","242377","2020-10-21","18:00:00",""
"4132399","16.65075","0.00017","16.65075","0.00017","16.65075","0.00017","90","","90","","90","","4616.38","0.08","300","","300","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2","","","- C48 H48 Fe12 N72 -","- C48 H48 Fe12 N72 -","- C96 H96 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.007","2.368","","","","","","","has coordinates","242378","2020-10-21","18:00:00",""
"4132400","16.4794","0.0003","16.4794","0.0003","16.4794","0.0003","90","","90","","90","","4475.32","0.14","300","","300","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2(BF4)0.33","","","- C48 H48 B4 F16 Fe12 N72 -","- C48 H48 B4 F16 Fe12 N72 -","- C96 H96 B8 F32 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.017","3.571","","","","","","","has coordinates","242380","2020-10-21","18:00:00",""
"4132401","8.6821","0.0008","9.2577","0.0007","14.8443","0.0012","71.884","0.002","76.084","0.002","79.136","0.002","1092.31","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","","Gao, De-Wei; Vinogradova, Ekaterina V.; Nimmagadda, Sri Krishna; Medina, Jose M.; Xiao, Yiyang; Suciu, Radu M.; Cravatt, Benjamin F.; Engle, Keary M.","Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes.","Journal of the American Chemical Society","2018","140","26","8069","8073","10.1021/jacs.8b03704","","x-ray","0.71073","MoKα","K-L~3~","0.0483","0.0368","","","0.0863","0.0929","","","","","","1.04","","","","has coordinates","242381","2020-10-21","18:00:00",""
"4132402","9.8385","0.0009","10.1022","0.0009","10.6601","0.0011","65.532","0.002","69.193","0.003","82.563","0.003","901.27","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Gao, De-Wei; Vinogradova, Ekaterina V.; Nimmagadda, Sri Krishna; Medina, Jose M.; Xiao, Yiyang; Suciu, Radu M.; Cravatt, Benjamin F.; Engle, Keary M.","Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes.","Journal of the American Chemical Society","2018","140","26","8069","8073","10.1021/jacs.8b03704","","x-ray","0.71073","MoKα","","0.0683","0.054","","","0.1297","0.14","","","","","","1.026","","","","has coordinates","242382","2020-10-21","18:00:00",""
"4132403","9.2425","0.0002","12.1233","0.0004","14.1393","0.0006","100.537","0.003","95.652","0.003","91.759","0.002","1548.09","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H60 Cl4 N4 -","- C84 H60 Cl4 N4 -","- C84 H60 Cl4 N4 -","1","0.5","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.0612","0.056","","","0.1608","0.1684","","","","","","1.046","","","","has coordinates,has disorder","242391","2020-10-21","18:00:00",""
"4132404","11.7244","0.0004","12.9417","0.0005","14.3009","0.0005","83.817","0.003","87.738","0.003","85.372","0.003","2149.23","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H42 Cl2 I2 -","- C55 H42 Cl2 I2 -","- C110 H84 Cl4 I4 -","2","1","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.034","0.0305","","","0.0778","0.0804","","","","","","1.038","","","","has coordinates,has disorder","242392","2020-10-21","18:00:00",""
"4132405","13.7112","0.0002","15.3522","0.0002","16.2553","0.0002","108.701","0.001","107.29","0.001","101.419","0.001","2927.37","0.08","100","0.4","100","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C77 H65 Cl6 -","- C77 H65 Cl6 -","- C154 H130 Cl12 -","2","1","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.0484","0.0475","","","0.1339","0.1347","","","","","","1.022","","","","has coordinates,has disorder","242393","2020-10-21","18:00:00",""
"4132406","13.8261","0.0012","3.7274","0.0003","14.4026","0.001","90","","103.628","0.003","90","","721.35","0.1","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Au N2 S8 -","- C8 H6 Au N2 S8 -","- C16 H12 Au2 N4 S16 -","2","0.5","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0732","0.0624","","","0.1228","0.1261","","","","","","1.383","","","","has coordinates","242394","2020-10-21","18:00:00",""
"4132407","22.294","0.007","6.3477","0.0018","18.974","0.005","90","","111.118","0.011","90","","2504.8","1.3","100","","100","","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C16 H26 Au N3 S8 -","- C16 H26 Au N3 S8 -","- C64 H104 Au4 N12 S32 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0231","0.0216","","","0.0499","0.0509","","","","","","0.961","","","","has coordinates,has disorder","242395","2020-10-21","18:00:00",""
"4132408","17.479","0.003","36.198","0.006","18.614","0.003","90","","108.768","0.006","90","","11151","3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H78 B8 F32 Fe4 N34 -","- C92 H78 B8 F32 Fe4 N34 -","- C368 H312 B32 F128 Fe16 N136 -","4","0.5","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1241","0.075","","","0.1916","0.235","","","","","","1.106","","","","has coordinates,has disorder","242396","2020-10-21","18:00:00",""
"4132409","21.6393","0.0013","21.6393","0.0013","21.1688","0.0015","90","","90","","90","","9912.5","1.1","120","2","120","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C88 H84 B4 F16 N32 O8 Zn4 -","- C88 H76 B4 F16 N32 O4 Zn4 -","- C352 H304 B16 F64 N128 O16 Zn16 -","4","0.25","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.0623","0.0604","","","0.1574","0.1589","","","","","","1.138","","","","has coordinates","242397","2020-10-21","18:00:00",""
"4132410","26.4577","0.001","17.6215","0.0007","27.3241","0.0011","90","","116.132","0.002","90","","11437","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H94 B6 F24 Fe4 N40 -","- C104 H91 B6 F24 Fe4 N40 -","- C416 H364 B24 F96 Fe16 N160 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1079","0.0758","","","0.1922","0.2165","","","","","","1.013","","","","has coordinates,has disorder","242398","2020-10-21","18:00:00",""
"4132411","17.5399","0.0008","25.9317","0.0011","28.7826","0.0012","90","","116.955","0.003","90","","11669.2","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H104 B4 F16 Fe4 N44 -","- C96 H80 B4 F16 Fe4 N36 -","- C384 H320 B16 F64 Fe16 N144 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1271","0.0921","","","0.2415","0.2586","","","","","","1.064","","","","has coordinates,has disorder","242399","2020-10-21","18:00:00",""
"4132412","19.5838","0.0005","35.646","0.001","18.5501","0.0005","90","","110.798","0.002","90","","12105.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H81 B8 F32 N35 Zn4 -","- C94 H81 B8 F32 N35 Zn4 -","- C376 H324 B32 F128 N140 Zn16 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","1.54178","CuKα","","0.1458","0.1211","","","0.2573","0.2674","","","","","","1.045","","","","has coordinates,has disorder","242400","2020-10-21","18:00:00",""
"4132413","20.0311","0.0015","35.23","0.003","18.0924","0.0014","90","","111.188","0.004","90","","11904.6","1.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H90 B8 F32 Fe4 N38 -","- C92 H78 B8 F32 Fe4 N34 -","- C368 H312 B32 F128 Fe16 N136 -","4","0.5","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1052","0.0926","","","0.2441","0.2538","","","","","","1.078","","","","has coordinates,has disorder","242401","2020-10-21","18:00:00",""
"4132414","26.948","0.002","17.7359","0.0015","27.532","0.002","90","","115.376","0.004","90","","11889.2","1.6","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H94 B6 F24 Fe4 N40 -","- C104 H94 B6 F24 Fe4 N40 -","- C416 H376 B24 F96 Fe16 N160 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1363","0.0703","","","0.1622","0.1915","","","","","","1.023","","","","has coordinates,has disorder","242402","2020-10-21","18:00:00",""
"4132415","12.4165","0.0008","33.602","0.002","19.7243","0.0014","90","","101.313","0.002","90","","8069.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FS-III-162","","","- C62.5 H138 Cl3.5 N5.5 P6 Re3 -","- C62.5 H138 Cl3.5 N5.5 P6 Re3 -","- C250 H552 Cl14 N22 P24 Re12 -","4","1","","Lindley, Brian M.; van Alten, Richt S.; Finger, Markus; Schendzielorz, Florian; Würtele, Christian; Miller, Alexander J. M.; Siewert, Inke; Schneider, Sven","Mechanism of Chemical and Electrochemical N<sub>2</sub> Splitting by a Rhenium Pincer Complex.","Journal of the American Chemical Society","2018","140","25","7922","7935","10.1021/jacs.8b03755","","","0.71073","MoKα","","0.1113","0.0639","","","0.1178","0.1328","","","","","","1.077","","","","has coordinates,has disorder","242403","2020-10-21","18:00:00",""
"4132416","10.3008","0.0004","11.0103","0.0004","11.3288","0.0004","90","","91.595","0.001","90","","1284.36","0.08","302","2","302.26","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0696","0.0501","","","0.1052","0.1134","","","","","","1.052","","","","has coordinates","242404","2020-10-21","18:00:00",""
"4132417","5.6586","0.0001","12.5761","0.0003","25.22","0.0005","90","","90","","90","","1794.73","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0426","0.0371","","","0.0921","0.0958","","","","","","1.058","","","","has coordinates","242405","2020-10-21","18:00:00",""
"4132418","8.385","0.002","12.444","0.003","16.636","0.004","90","","90","","90","","1735.8","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0509","0.0427","","","0.1151","0.1234","","","","","","1.086","","","","has coordinates","242406","2020-10-21","18:00:00",""
"4132419","20.913","0.006","20.913","0.006","10.05","0.003","90","","90","","120","","3806.5","1.9","273","2","273.15","","","","","","","","","6","P 65","P 65","170","","","","- C27 H22 Cl2 N2 O Pd -","- C27 H22 Cl2 N2 O Pd -","- C162 H132 Cl12 N12 O6 Pd6 -","6","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.1087","0.0599","","","0.1048","0.1236","","","","","","1.054","","","","has coordinates","242407","2020-10-21","18:00:00",""
"4132420","12.3113","0","17.1071","0.0002","17.4051","0.0002","95.068","0.011","109.078","0.019","109.676","0.01","3180","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.77 H76.77 Cl2.31 Si4 -","- C64.77 H76.77 Cl2.31 Si4 -","- C129.54 H153.54 Cl4.62 Si8 -","2","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0484","0.0458","","","0.126","0.1279","","","","","","1.062","","","","has coordinates,has disorder","242408","2020-10-21","18:00:00",""
"4132421","20.8371","0.0004","21.9323","0.0004","22.9286","0.0004","88.53","0.002","84.69","0.001","89.064","0.002","10429.1","0.3","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H100 Si4 -","- C76 H100 Si4 -","- C456 H600 Si24 -","6","3","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","0.71073","MoKα","","0.1366","0.1096","","","0.2708","0.2878","","","","","","1.072","","","","has coordinates,has disorder","242409","2020-10-21","18:00:00",""
"4132422","14.0525","0.0012","33.864","0.003","30.643","0.003","90","","90.53","0.004","90","","14582","2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C153.55 H203.1 Cl3.1 Si8 -","- C153.55 H203.1 Cl3.1 Si8 -","- C614.2 H812.4 Cl12.4 Si32 -","4","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.1061","0.0984","","","0.2543","0.2604","","","","","","1.044","","","","has coordinates,has disorder","242410","2020-10-21","18:00:00",""
"4132423","17.765","0.002","19.556","0.002","34.096","0.004","91.567","0.007","102.628","0.004","94.744","0.002","11507","2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H76 Si4 -","- C64 H76 Si4 -","- C512 H608 Si32 -","8","4","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0623","0.0565","","","0.1628","0.166","","","","","","1.021","","","","has coordinates,has disorder","242411","2020-10-21","18:00:00",""
"4132424","9.7656","0.0011","16.3229","0.0017","16.4044","0.0017","106.021","0.0017","92.4568","0.0018","96.7633","0.0018","2488.1","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C52.3 H52.6 Cl0.6 Si4 -","- C52.3 H52.6 Cl0.6 Si4 -","- C104.6 H105.2 Cl1.2 Si8 -","2","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","0.71073","MoKα","","0.0779","0.0526","","","0.1142","0.1263","","","","","","1.047","","","","has coordinates,has disorder","242412","2020-10-21","18:00:00",""
"4132425","28.0973","0.0011","34.31","0.0017","30.1231","0.001","90","","90.564","0.002","90","","29038","2","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 Si4 -","- C76 H100 Si4 -","- C1216 H1600 Si64 -","16","4","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0702","0.0652","","","0.1783","0.1827","","","","","","1.014","","","","has coordinates,has disorder","242413","2020-10-21","18:00:00",""
"4132426","7.076","0.002","9.231","0.003","12.242","0.004","95.341","0.007","105.299","0.007","97.97","0.008","756.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C22 H32 N12 O12 -","2","1","","Bian, Lifang; Shi, Huifang; Wang, Xuan; Ling, Kun; Ma, Huili; Li, Mengping; Cheng, Zhichao; Ma, Chaoqun; Cai, Suzhi; Wu, Qi; Gan, Nan; Xu, Xiangfei; An, Zhongfu; Huang, Wei","Simultaneously Enhancing Efficiency and Lifetime of Ultralong Organic Phosphorescence Materials by Molecular Self-Assembly.","Journal of the American Chemical Society","2018","140","34","10734","10739","10.1021/jacs.8b03867","","","0.71073","MoKα","","0.1088","0.0631","","","0.1644","0.1838","","","","","","1.061","","","","has coordinates","242414","2020-10-21","18:00:00",""
"4132427","16.3144","0.0013","17.0403","0.0013","18.0957","0.0014","105.937","0.002","90.656","0.003","111.646","0.002","4460.3","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H72 Cr2 F12 Fe2 N28 O10 P2 -","- C72 H68 Cr2 F12 Fe2 N28 O10 P2 -","- C144 H136 Cr4 F24 Fe4 N56 O20 P4 -","2","1","","Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal","Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.","Journal of the American Chemical Society","2018","140","24","7698","7704","10.1021/jacs.8b03891","","","0.71073","MoKα","","0.1293","0.0675","","0.1072","0.0712","0.0657","","","","","","1.1351","","","","has coordinates","242415","2020-10-21","18:00:00",""
"4132428","17.9823","0.0008","23.0229","0.001","17.6605","0.0008","90","","93.5112","0.0016","90","","7297.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cr2 Fe N21 O6 -","- C61 H53 Cr2 Fe N21 O6 -","- C244 H212 Cr8 Fe4 N84 O24 -","4","1","","Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal","Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.","Journal of the American Chemical Society","2018","140","24","7698","7704","10.1021/jacs.8b03891","","","0.71073","MoKα","","0.0408","0.0348","","0.0445","0.0353","0.0345","","","","","","1.0632","","","","has coordinates","242416","2020-10-21","18:00:00",""
"4132429","12.1932","0.0009","12.7204","0.0009","22.2152","0.0016","100.886","0.0013","104.395","0.0014","95.5327","0.0014","3240","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 Np O6 Si6 -","- C51 H99 K N2 Np O6 Si6 -","- C102 H198 K2 N4 Np2 O12 Si12 -","2","1","","Su, Jing; Windorff, Cory J.; Batista, Enrique R.; Evans, William J.; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.; Woen, David H.; Yang, Ping","Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np<sup>II</sup>[C<sub>5</sub>H<sub>3</sub>(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub>}<sup>1</sup>.","Journal of the American Chemical Society","2018","140","24","7425","7428","10.1021/jacs.8b03907","","","0.71073","MoKα","","0.034","0.0288","","","0.0621","0.0635","","","","","","1.259","","","","has coordinates","242417","2020-10-21","18:00:00",""
"4132430","12.03","0.0005","10.6729","0.0004","25.4912","0.0009","90","","97.675","0.001","90","","3243.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cl8 N O P2 Ru -","- C22 H37 Cl8 N O P2 Ru -","- C88 H148 Cl32 N4 O4 P8 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0404","0.0304","","","0.0659","0.0698","","","","","","0.994","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132431","8.8526","0.0005","8.5443","0.0004","27.4092","0.0013","90","","96.433","0.005","90","","2060.16","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C84 H108 N8 O8 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0455","0.0333","","","0.0678","0.0705","","","","","","1.088","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132432","12.0886","0.0006","13.2869","0.0011","26.5089","0.0013","90","","90","","90","","4257.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C168 H216 N16 O16 P8 Ru8 -","8","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0544","0.039","","","0.0762","0.0804","","","","","","1.074","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132433","13.1954","0.0007","15.1605","0.0008","14.1886","0.0007","90","","108.745","0.002","90","","2687.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl5 N2 O P Ru -","- C21 H28 Cl5 N2 O P Ru -","- C84 H112 Cl20 N8 O4 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0389","0.0282","","","0.0597","0.0639","","","","","","1.017","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132434","7.9533","0.0005","15.2254","0.0009","17.5833","0.001","90","","94.438","0.001","90","","2122.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N2 O P Ru -","- C20 H27 Cl2 N2 O P Ru -","- C80 H108 Cl8 N8 O4 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0432","0.0348","","","0.0697","0.0721","","","","","","1.222","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132435","8.943","0.005","10.923","0.006","11.682","0.006","90","","90","","90","","1141.1","1.1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl Fe N2 -","- C11 H13 Cl Fe N2 -","- C44 H52 Cl4 Fe4 N8 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0237","0.0231","","","0.0603","0.0612","","","","","","1.02","","","","has coordinates","242419","2020-10-21","18:00:00",""
"4132436","9.842","0.002","13.966","0.003","12.181","0.003","90","","90","","90","","1674.3","0.6","200","2","200","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H20 F6 Fe N P -","- C14 H20 F6 Fe N P -","- C56 H80 F24 Fe4 N4 P4 -","4","0.5","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0595","0.0518","","","0.1401","0.1484","","","","","","1.003","","","","has coordinates,has disorder","242420","2020-10-21","18:00:00",""
"4132437","18.8753","0.0007","10.9829","0.0004","8.5634","0.0003","90","","90","","90","","1775.24","0.11","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 B2 F8 Fe N -","- C14 H20 B2 F8 Fe N -","- C56 H80 B8 F32 Fe4 N4 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","1.54184","CuKα","","0.0548","0.0427","","","0.0987","0.1043","","","","","","1.014","","","","has coordinates","242421","2020-10-21","18:00:00",""
"4132438","30.43","0.006","31.273","0.006","32.258","0.007","117.87","0.03","104.25","0.03","104.17","0.03","23870","16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C198 H239 F24 N40 O3 P4 Pd8 S3 -","- C198 H239 F24 N40 O3 P4 Pd8 S3 -","- C396 H478 F48 N80 O6 P8 Pd16 S6 -","2","1","","Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.","Journal of the American Chemical Society","2018","140","25","7952","7960","10.1021/jacs.8b03946","","","0.7","synchrotron","","0.0925","0.0803","","","0.2426","0.2575","","","","","","1.089","","","","has coordinates","242422","2020-10-21","18:00:00",""
"4132439","22.184","0.004","23.316","0.005","24.414","0.005","107.21","0.03","103.15","0.03","91.64","0.03","11684","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H250 F36 N42 O10 P6 Pd8 S4 -","- C200 H248 F36 N42 O10 P6 Pd8 S4 -","- C200 H248 F36 N42 O10 P6 Pd8 S4 -","1","0.5","","Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.","Journal of the American Chemical Society","2018","140","25","7952","7960","10.1021/jacs.8b03946","","","0.7","synchrotron","","0.0679","0.0557","","","0.1741","0.1817","","","","","","1.003","","","","has coordinates,has disorder","242423","2020-10-21","18:00:00",""
"4132440","16.183","0.003","9.4935","0.0016","13.961","0.002","90","","104.871","0.01","90","","2073","0.6","250","","250.08","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Cl4 Fe N2 O4 -","- C14 H24 Cl4 Fe N2 O4 -","- C56 H96 Cl16 Fe4 N8 O16 -","4","0.5","","DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David","A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.","Journal of the American Chemical Society","2018","140","21","6550","6553","10.1021/jacs.8b03949","","","0.71073","MoKα","","0.0946","0.0727","","","0.1927","0.2055","","","","","","1.032","","","","has coordinates","242424","2020-10-21","18:00:00",""
"4132441","16.1004","0.0014","9.3394","0.0008","13.8165","0.0013","90","","104.971","0.005","90","","2007","0.3","100","","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NMe4)2CAFeCl2_100K","","- C14 H24 Cl4 Fe N2 O4 -","- C14 H24 Cl4 Fe N2 O4 -","- C56 H96 Cl16 Fe4 N8 O16 -","4","0.5","","DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David","A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.","Journal of the American Chemical Society","2018","140","21","6550","6553","10.1021/jacs.8b03949","","","0.71073","MoKα","","0.0961","0.0653","","","0.1748","0.1915","","","","","","1.071","","","","has coordinates","242424","2020-10-21","18:00:00",""
"4132442","12.9445","0.0015","20.055","0.002","17.771","0.002","90","","107.513","0.003","90","","4399.5","0.8","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H71 N4 O Y -","- C45 H71 N4 O Y -","- C180 H284 N16 O4 Y4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.1247","0.0644","","","0.1318","0.1616","","","","","","1.046","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132443","14.6844","0.0014","16.2869","0.0016","17.6979","0.0016","90","","90","","90","","4232.7","0.7","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H61 Lu N2 O2 Si -","- C44 H61 Lu N2 O2 Si -","- C176 H244 Lu4 N8 O8 Si4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.0251","0.0207","","","0.0431","0.0439","","","","","","0.975","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132444","18.829","0.0008","5.8347","0.0003","18.4856","0.0008","90","","98.902","0.002","90","","2006.39","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 F3 O10 -","- C15 H19 F3 O10 -","- C60 H76 F12 O40 -","4","1","","Zhou, Min; Ni, Chuanfa; Zeng, Yuwen; Hu, Jinbo","Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent.","Journal of the American Chemical Society","2018","140","22","6801","6805","10.1021/jacs.8b04000","","","1.54178","CuKα","","0.0779","0.0715","","","0.2193","0.2338","","","","","","1.069","","","","has coordinates,has disorder","242426","2020-10-21","18:00:00",""
"4132445","38.91","0.003","8.4458","0.0005","8.342","0.0006","90","","90","","90","","2741.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.5","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.1042","0.0908","","","0.2297","0.2516","","","","","","1.038","","","","has coordinates","242427","2020-10-21","18:00:00",""
"4132446","39.303","0.004","8.4726","0.0004","8.4483","0.0005","90","","90","","90","","2813.3","0.4","330","2","330","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.25","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.0678","0.0453","","","0.1164","0.1304","","","","","","1.03","","","","has coordinates","242428","2020-10-21","18:00:00",""
"4132447","6.9976","0.001","11.0632","0.0016","15.736","0.002","87.487","0.003","79.01","0.003","73.201","0.003","1144.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl I N O4 -","- C21 H27 Cl I N O4 -","- C42 H54 Cl2 I2 N2 O8 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0388","0.0352","","","0.0896","0.092","","","","","","1.148","","","","has coordinates","242429","2020-10-21","18:00:00",""
"4132448","7.0926","0.0003","10.7908","0.0004","20.6337","0.0009","90","","96.016","0.002","90","","1570.5","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H56 O3 Si2 -","- C29 H56 O3 Si2 -","- C58 H112 O6 Si4 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0318","0.0311","","","0.083","0.0838","","","","","","1.127","","","","has coordinates","242430","2020-10-21","18:00:00",""
"4132449","9.8887","0.0006","14.8615","0.0008","19.586","0.0011","73.101","0.003","80.806","0.003","74.567","0.003","2644.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 Br O3 -","- C19 H27 Br O3 -","- C114 H162 Br6 O18 -","6","3","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0304","0.0256","","","0.0662","0.0687","","","","","","1.057","","","","has coordinates","242431","2020-10-21","18:00:00",""
"4132450","19.2746","0.0009","7.6362","0.0002","20.2859","0.0006","90","","101.507","0.001","90","","2925.76","0.18","100","1","100","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C128 H160 Cl8 N8 O8 -","8","2","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0288","0.0269","","","0.071","0.0723","","","","","","1.043","","","","has coordinates","242432","2020-10-21","18:00:00",""
"4132451","9.3356","0.0003","10.3523","0.0003","27.244","0.0009","90","","90","","90","","2632.99","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl N O5 -","- C26 H36 Cl N O5 -","- C104 H144 Cl4 N4 O20 -","4","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0315","0.0307","","","0.0772","0.0779","","","","","","1.02","","","","has coordinates,has disorder","242433","2020-10-21","18:00:00",""
"4132452","9.9954","0.0007","11.9031","0.0008","18.5973","0.0011","78.224","0.003","85.522","0.003","77.125","0.003","2110.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ain7165","","","- C29 H37 Cl4 Co4 Mn N4 O19 -","- C29 H37 Cl4 Co4 Mn N4 O19 -","- C58 H74 Cl8 Co8 Mn2 N8 O38 -","2","1","","Nguyen, Andy I.; Darago, Lucy E.; Balcells, David; Tilley, T. Don","Influence of a ""Dangling"" Co(II) Ion Bound to a [MnCo<sub>3</sub>O<sub>4</sub>] Oxo Cubane.","Journal of the American Chemical Society","2018","140","29","9030","9033","10.1021/jacs.8b04065","","","0.71073","MoKα","","0.0962","0.0877","","","0.2187","0.2222","","","","","","1.278","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132453","9.5521","0.0003","9.1531","0.0003","16.1386","0.0005","90","","91.007","0.001","90","","1410.8","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","JYW-1-177","hartwig126","","- C29 H54 P2 Pd -","- C29 H54 P2 Pd -","- C58 H108 P4 Pd2 -","2","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","1.54178","CuKα","","0.0563","0.0556","","","0.127","0.1273","","","","","","1.365","","","","has coordinates,has disorder","242435","2020-10-21","18:00:00",""
"4132454","10.7443","0.0005","21.9962","0.0011","25.3867","0.0012","90","","95.498","0.003","90","","5972.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jyw-296","hartwig151","","- C55 H101 B F4 O P4 Pd2 -","- C55 H101 B F4 O P4 Pd2 -","- C220 H404 B4 F16 O4 P16 Pd8 -","4","1","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.1513","0.1133","","","0.266","0.2888","","","","","","1.032","","","","has coordinates","242436","2020-10-21","18:00:00",""
"4132455","14.5802","0.0008","23.5092","0.0015","8.5138","0.0006","90","","90","","90","","2918.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","jyw-241","hartwig134","","- C29 H50 O2 P2 Pd -","- C29 H50 O2 P2 Pd -","- C116 H200 O8 P8 Pd4 -","4","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.0352","0.0295","","","0.0679","0.0703","","","","","","1.104","","","","has coordinates","242437","2020-10-21","18:00:00",""
"4132456","9.8814","0.0003","11.6523","0.0004","16.7557","0.0005","108.751","0.001","103.739","0.001","94.839","0.001","1747.31","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H49 Au Cl F6 N P Sb -","- C36 H49 Au Cl F6 N P Sb -","- C72 H98 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0286","0.0258","","","0.0626","0.0643","","","","","","1.031","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132457","11.492","0.002","19.277","0.003","13.003","0.002","90","","99.819","0.005","90","","2838.4","0.8","100","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 B10 N4 P2 -","- C18 H46 B10 N4 P2 -","- C72 H184 B40 N16 P8 -","4","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0418","","","0.0958","0.1062","","","","","","1.023","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132458","20.8838","0.001","17.9885","0.001","18.4736","0.001","90","","90","","90","","6939.9","0.6","100","","100","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C256 H352 Au8 Cl24 F48 N8 P8 Sb8 -","4","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0913","0.0468","","","0.1034","0.1292","","","","","","1.059","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132459","10.0473","0.0012","11.3493","0.0014","17.4404","0.0018","100.731","0.004","103.7","0.004","99.465","0.004","1852.5","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H47 Au Cl F6 N P Sb -","- C38 H47 Au Cl F6 N P Sb -","- C76 H94 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0443","0.0359","","","0.0734","0.0762","","","","","","1.033","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132460","10.3978","0.0004","10.8778","0.0004","17.7061","0.0007","90.465","0.001","90.583","0.001","94.133","0.001","1997.26","0.13","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","1","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0411","0.0294","","","0.0529","0.056","","","","","","1.01","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132461","10.2214","0.0004","11.5151","0.0004","16.2248","0.0006","108.902","0.001","99.944","0.001","100.426","0.001","1721.07","0.11","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H44 Au Cl0.86 F9 I0.14 N P Sb -","- C35 H44 Au Cl0.8595 F9 I0.1405 N P Sb -","- C70 H88 Au2 Cl1.719 F18 I0.281 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","","0.71073","MoKα","","0.0459","0.0326","","","0.0604","0.0644","","","","","","1.035","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132462","10.182","0.001","11.4038","0.0013","16.3043","0.0016","109.033","0.004","100.165","0.003","100.426","0.004","1702.7","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C34 H44 Au Br Cl0.77 F6 I0.23 N P Sb -","- C34 H44 Au Br Cl0.7697 F6 I0.2303 N P Sb -","- C68 H88 Au2 Br2 Cl1.5394 F12 I0.4606 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0348","0.0276","","","0.0582","0.0604","","","","","","1.028","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132463","10.0238","0.0006","11.7115","0.0007","16.7522","0.0011","106.082","0.002","106.45","0.002","97.925","0.002","1761.66","0.19","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C35 H44 Au Cl0.95 F9 I0.05 N O P Sb -","- C35 H44 Au Cl0.95 F9 I0.05 N O P Sb -","- C70 H88 Au2 Cl1.9 F18 I0.1 N2 O2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0327","0.0267","","","0.0587","0.0611","","","","","","1.026","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132464","10.0424","0.0011","12.023","0.0013","19.663","0.002","101.463","0.003","101.135","0.003","100.103","0.003","2225.8","0.4","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C45 H49 Au Cl0.85 F6 I0.15 N O P Sb -","- C45 H49 Au Cl0.851 F6 I0.149 N O P Sb -","- C90 H98 Au2 Cl1.702 F12 I0.298 N2 O2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","","0.71073","MoKα","","0.0624","0.046","","","0.0956","0.1054","","","","","","1.114","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132465","9.5384","0.001","13.2116","0.0013","15.7777","0.0011","112.015","0.002","105.708","0.002","91.052","0.003","1758.4","0.3","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H47 Au Cl F6 N O2 P Sb -","- C34 H47 Au Cl F6 N O2 P Sb -","- C68 H94 Au2 Cl2 F12 N2 O4 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0337","0.0256","","","0.0516","0.0543","","","","","","1.024","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132466","10.8154","0.0005","18.7822","0.001","11.4495","0.0006","90","","109.742","0.001","90","","2189.11","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O3 -","- C28 H26 Fe O3 -","- C112 H104 Fe4 O12 -","4","1","","Dong, Zhe; Lu, Gang; Wang, Jianchun; Liu, Peng; Dong, Guangbin","Modular ipso/ ortho Difunctionalization of Aryl Bromides via Palladium/Norbornene Cooperative Catalysis.","Journal of the American Chemical Society","2018","140","27","8551","8562","10.1021/jacs.8b04153","","","0.71073","MoKα","","0.0481","0.0341","","","0.0737","0.0788","","","","","","1.038","","","","has coordinates","242439","2020-10-21","18:00:00",""
"4132467","11.1681","0.0005","20.1957","0.0009","20.2872","0.0009","100.49","0.001","94.456","0.001","97.41","0.001","4437.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H138 Cl8 N6 O5 Pt -","- C82 H138 Cl8 N6 O5 Pt -","- C164 H276 Cl16 N12 O10 Pt2 -","2","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.031","0.0251","","","0.0586","0.0616","","","","","","1.071","","","","has coordinates,has disorder","242440","2020-10-21","18:00:00",""
"4132468","9.9014","0.0005","11.376","0.0006","14.3487","0.0009","95.5136","0.0019","106.474","0.0013","96.7739","0.0014","1524.74","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 Au Br4 Cl3 N4 O7 -","- C61 H68 Au Br4 Cl3 N4 O7 -","- C61 H68 Au Br4 Cl3 N4 O7 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0284","0.0251","","","0.0668","0.0687","","","","","","1.062","","","","has coordinates,has disorder","242441","2020-10-21","18:00:00",""
"4132469","21.626","0.003","15.426","0.002","22.964","0.003","90","","90","","90","","7660.9","1.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Cl13 N5 O4 -","- C67 H99 Au Cl13 N5 O4 -","- C268 H396 Au4 Cl52 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.047","0.0274","","","0.0526","0.0578","","","","","","1.015","","","","has coordinates","242442","2020-10-21","18:00:00",""
"4132470","17.2894","0.0003","11.2213","0.0002","27.5815","0.0007","90","","90","","90","","5351.07","0.19","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52.5 H73 Cl N4 O6 S2 -","- C52.5 H73 Cl N4 O6 S2 -","- C210 H292 Cl4 N16 O24 S8 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","1.54184","CuKα","","0.0816","0.0724","","","0.1954","0.2057","","","","","","1.057","","","","has coordinates,has disorder","242443","2020-10-21","18:00:00",""
"4132471","21.768","0.003","15.419","0.002","23.157","0.003","90","","90","","90","","7772.4","1.8","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Br4 Cl9 N5 O4 -","- C67 H99 Au Br4 Cl9 N5 O4 -","- C268 H396 Au4 Br16 Cl36 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0687","0.0462","","","0.1053","0.1163","","","","","","1.034","","","","has coordinates","242444","2020-10-21","18:00:00",""
"4132472","11.4123","0.0007","13.8383","0.0008","14.9653","0.0009","102.685","0.002","95.062","0.002","112.999","0.002","2082.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H132 Cl6 N6 O4 Pd2 -","- C80 H132 Cl6 N6 O4 Pd2 -","- C80 H132 Cl6 N6 O4 Pd2 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0514","0.041","","","0.1049","0.1106","","","","","","1.034","","","","has coordinates","242445","2020-10-21","18:00:00",""
"4132473","9.4815","0.0013","11.0063","0.0015","14.569","0.0019","83.563","0.002","83.05","0.002","80.654","0.002","1482.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H59 Au Cl10 N4 O6 -","- C58 H59 Au Cl10 N4 O6 -","- C58 H59 Au Cl10 N4 O6 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0377","0.035","","","0.0856","0.0871","","","","","","1.035","","","","has coordinates","242446","2020-10-21","18:00:00",""
"4132474","9.55","0.002","31.109","0.008","19.849","0.005","90","","90.768","0.003","90","","5896","2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cu F6 N9 P Zn -","- C63 H46 Cu F6 N9 P Zn -","- C252 H184 Cu4 F24 N36 P4 Zn4 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.06","0.0541","","","0.1206","0.124","","","","","","1.195","","","","has coordinates,has disorder","242447","2020-10-21","18:00:00",""
"4132475","14.1151","0.0006","18.5419","0.0008","19.9898","0.0008","90","","90.583","0.002","90","","5231.5","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Cl2 Cu N9 Zn -","- C64 H48 Cl2 Cu N9 Zn -","- C256 H192 Cl8 Cu4 N36 Zn4 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0721","0.0461","","","0.092","0.105","","","","","","1.04","","","","has coordinates","242448","2020-10-21","18:00:00",""
"4132476","19.4349","0.0007","11.9765","0.0004","14.9472","0.0005","90","","91.307","0.002","90","","3478.2","0.2","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H54 Cu2 F6 Fe4 N12 O10 P S4 -","- C58 H54 Cu2 F6 Fe4 N12 O10 P S4 -","- C116 H108 Cu4 F12 Fe8 N24 O20 P2 S8 -","2","0.5","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","1.54178","CuKα","","0.0687","0.0584","","","0.146","0.1526","","","","","","1.086","","","","has coordinates,has disorder","242449","2020-10-21","18:00:00",""
"4132477","8.954","0.003","13.437","0.004","24.882","0.008","90","","90","","90","","2993.7","1.7","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cu Fe2 N5 O5 S2 -","- C27 H24 Cu Fe2 N5 O5 S2 -","- C108 H96 Cu4 Fe8 N20 O20 S8 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0725","0.0634","","","0.1261","0.13","","","","","","1.126","","","","has coordinates","242450","2020-10-21","18:00:00",""
"4132478","11.416","0.003","11.745","0.003","12.139","0.003","76.321","0.011","70.418","0.01","83.516","0.011","1489","0.7","143","","143","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Al Cl N3 P2 -","- C27 H43 Al Cl N3 P2 -","- C54 H86 Al2 Cl2 N6 P4 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0592","0.0391","","","0.0918","0.1002","","","","","","0.973","","","","has coordinates","242451","2020-10-21","18:00:00",""
"4132479","16.1981","","11.3885","","18.3501","","90","","106.008","","90","","3253.82","","143","","143","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Al N4 P2 Rh -","- C32 H47 Al N4 P2 Rh -","- C128 H188 Al4 N16 P8 Rh4 -","4","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.056","0.045","","","0.1322","0.1409","","","","","","0.975","","","","has coordinates,has disorder","242452","2020-10-21","18:00:00",""
"4132480","9.0006","0.0014","15.272","0.003","22.694","0.004","85.964","0.004","84.286","0.005","86.941","0.005","3092.9","0.9","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H86 Al2 N6 O4 P4 Rh2 -","- C58 H86 Al2 N6 O4 P4 Rh2 -","- C116 H172 Al4 N12 O8 P8 Rh4 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0771","0.0524","","","0.1018","0.1146","","","","","","1.045","","","","has coordinates,has disorder","242453","2020-10-21","18:00:00",""
"4132481","11.1835","0.0015","12.0058","0.0016","13.1647","0.0017","79.115","0.004","76.906","0.004","81.612","0.004","1680.8","0.4","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H45 Al Cl4 N3 P2 Rh -","- C28 H45 Al Cl4 N3 P2 Rh -","- C56 H90 Al2 Cl8 N6 P4 Rh2 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0426","0.031","","","0.0615","0.0652","","","","","","0.948","","","","has coordinates","242454","2020-10-21","18:00:00",""
"4132482","22.96","0.004","20.862","0.003","19.584","0.003","90","","97.508","0.002","90","","9300","3","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 Au14 Cd S12 -","- C48 H108 Au14 Cd S12 -","- C192 H432 Au56 Cd4 S48 -","4","0.5","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","0.71073","MoKα","","0.1033","0.054","","","0.1287","0.1403","","","","","","0.985","","","","has coordinates,has disorder","242455","2020-10-21","18:00:00",""
"4132483","16.476","0.002","16.719","0.002","30.157","0.004","80.994","0.002","82.064","0.002","62.481","0.002","7255.9","1.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C123 H185 Au14 Cd Cl6 S12 -","- C123 H185 Au14 Cd Cl6 S12 -","- C246 H370 Au28 Cd2 Cl12 S24 -","2","1","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","0.71073","MoKα","","0.1413","0.0679","","","0.1542","0.1719","","","","","","1.002","","","","has coordinates,has disorder","242456","2020-10-21","18:00:00",""
"4132484","29.202","0.003","18.1799","0.0012","27.6543","0.0018","90","","97.913","0.006","90","","14542","2","300","2","299.84","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C120 H180 Au16 S12 -","- C120 H180 Au16 S12 -","- C480 H720 Au64 S48 -","4","1","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","1.54178","CuKα","","0.1726","0.1078","","","0.2363","0.2717","","","","","","1.095","","","","has coordinates","242457","2020-10-21","18:00:00",""
"4132485","23.2664","0.0008","32.9221","0.0012","41.4807","0.0013","90","","90","","90","","31773.3","1.9","120","2","120","","","","","","","","","4","I m m m","-I 2 2","71","","","","- C117 H62 O32 Zr6 -","- C117 H62 O32 Zr6 -","- C468 H248 O128 Zr24 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1142","0.0906","","","0.2848","0.3042","","","","","","1.091","","","","has coordinates","242458","2020-10-21","18:00:00",""
"4132486","22.327","0.006","33.727","0.009","20.888","0.006","90","","90","","90","","15729","7","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1429","0.1085","","","0.3082","0.371","","","","","","1.632","","","","has coordinates","242459","2020-10-21","18:00:00",""
"4132487","23.566","","33.312","","20.631","","90","","90","","90","","16196","","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C53 H23 N O16 Zr3 -","- C53 H23 N O16 Zr3 -","- C212 H92 N4 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1419","0.1055","","","0.28","0.3329","","","","","","1.392","","","","has coordinates","242460","2020-10-21","18:00:00",""
"4132488","23.159","0.003","33.299","0.004","20.824","0.002","90","","90","","90","","16059","3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C58 H30 O16 Zr3 -","- C58 H30 O16 Zr3 -","- C232 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","","","0.184","0.1238","","","0.3337","0.4419","","","","","","1.793","","","","has coordinates","242461","2020-10-21","18:00:00",""
"4132489","23.1484","0.0012","33.0429","0.0017","20.6518","0.0011","90","","90","","90","","15796.4","1.4","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C55 H28 O16 Zr3 -","- C55 H28 O16 Zr3 -","- C220 H112 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1321","0.0905","","","0.2611","0.3141","","","","","","1.309","","","","has coordinates","242462","2020-10-21","18:00:00",""
"4132490","23.361","0.003","33.409","0.004","20.691","0.002","90","","90","","90","","16149","3","296","2","296.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H26 O18 Zr3 -","- C54 H26 O18 Zr3 -","- C216 H104 O72 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","","","0.1032","0.0886","","","0.2616","0.2858","","","","","","1.109","","","","has coordinates","242463","2020-10-21","18:00:00",""
"4132491","23.1544","0.0012","33.1052","0.0017","40.833","0.002","90","","90","","90","","31300","3","120","2","120","","","","","","","","","4","I m m m","-I 2 2","71","","","","- C125 H60 O32 Zr6 -","- C125 H60 O32 Zr6 -","- C500 H240 O128 Zr24 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1245","0.0856","","","0.2678","0.3054","","","","","","1.092","","","","has coordinates","242464","2020-10-21","18:00:00",""
"4132492","21.1374","0.0011","33.1766","0.0018","21.4671","0.001","90","","90","","90","","15054.2","1.3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C60 H30 O24 Zr3 -","- C60 H30 O16 Zr3 -","- C240 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1176","0.1027","","","0.326","0.3457","","","","","","1.483","","","","has coordinates","242465","2020-10-21","18:00:00",""
"4132493","20.2175","0.0009","34.4927","0.0015","21.0753","0.0009","90","","90","","90","","14697","1.1","110","2","110","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.515","Synchrotron","","0.0776","0.0513","","","0.1522","0.1568","","","","","","1.006","","","","has coordinates","242466","2020-10-21","18:00:00",""
"4132494","20.5524","0.0017","34.409","0.002","21.016","0.0016","90","","90","","90","","14862.3","1.9","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 Hf3 O16 -","- C44 H22 Hf3 O16 -","- C176 H88 Hf12 O64 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.0808","0.0723","","","0.2391","0.2524","","","","","","1.183","","","","has coordinates","242467","2020-10-21","18:00:00",""
"4132495","23.2646","0.0012","32.332","0.0016","21.5466","0.001","90","","90","","90","","16207.2","1.4","120","2","120","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C63 H34 O16 Zr3 -","- C63 H33 O16 Zr3 -","- C252 H132 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","synchrotron","","0.0866","0.0767","","","0.249","0.264","","","","","","1.141","","","","has coordinates,has disorder","242468","2020-10-21","18:00:00",""
"4132496","28.3931","0.0003","28.3931","0.0003","84.817","0.003","90","","90","","90","","68377","3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H211 Br6 N33 O32 Zn3 -","- C174 H201 Br6 N33 O32 Zn3 -","- C1392 H1608 Br48 N264 O256 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3104","0.2404","","","0.5093","0.5531","","","","","","1.61","","","","has coordinates,has disorder","242469","2020-10-21","18:00:00",""
"4132497","28.3964","0.0003","28.3964","0.0003","84.3978","0.0018","90","","90","","90","","68054.6","1.8","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H201.88 Cl6 N33 O30.5 Zn3 -","- C174 H201 Cl6 N33 O30.5 Zn3 -","- C1392 H1608 Cl48 N264 O244 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3474","0.2744","","","0.5541","0.5938","","","","","","1.951","","","","has coordinates","242470","2020-10-21","18:00:00",""
"4132498","28.4415","0.0003","28.4415","0.0003","85.872","0.002","90","","90","","90","","69463.5","1.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H202 I6 N33 O31 Zn3 -","- C174 H201 I6 N33 O31 Zn3 -","- C1392 H1608 I48 N264 O248 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.257","0.1957","","","0.4512","0.4922","","","","","","1.564","","","","has coordinates,has disorder","242471","2020-10-21","18:00:00",""
"4132499","10.2578","0.0006","13.5871","0.0008","18.479","0.0011","90","","104.03","0.003","90","","2498.7","0.3","100","2","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C117.71 H134 N16 -","- C116.92 H144 N16 -","- C116.92 H144 N16 -","1","0.5","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54184","CuKα","","0.0805","0.0791","","","0.2109","0.2125","","","","","","1.089","","","","has coordinates,has disorder","242472","2020-10-21","18:00:00",""
"4132500","9.1171","0.0006","17.2703","0.0014","15.3013","0.0011","90","","100.518","0.004","90","","2368.8","0.3","100","2","99.97","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N4 -","- C27 H32 N4 -","- C108 H128 N16 -","4","1","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54178","CuKα","","0.1449","0.1337","","","0.446","0.4662","","","","","","2.109","","","","has coordinates,has disorder","242474","2020-10-21","18:00:00",""
"4132501","9.6621","0.001","14.6897","0.0017","17.747","0.002","90","","104.666","0.005","90","","2436.8","0.5","100","2","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C112 H136 N16 -","- C112 H136 N16 -","- C112 H136 N16 -","1","0.5","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54184","CuKα","","0.1333","0.1313","","","0.3236","0.3247","","","","","","1.081","","","","has coordinates","242475","2020-10-21","18:00:00",""
"4132502","8.4233","0.0013","13.0818","0.0017","16.344","0.003","71.392","0.004","89.569","0.005","77.201","0.004","1660.5","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 Cl2 Cu N11 O4 -","- C31 H37 Cl2 Cu N11 O4 -","- C62 H74 Cl4 Cu2 N22 O8 -","2","1","","Ghattas, Wadih; Dubosclard, Virginie; Wick, Arne; Bendelac, Audrey; Guillot, Régis; Ricoux, Rémy; Mahy, Jean-Pierre","Receptor-Based Artificial Metalloenzymes on Living Human Cells.","Journal of the American Chemical Society","2018","140","28","8756","8762","10.1021/jacs.8b04326","","x-ray","0.71073","MoKα","","0.3697","0.0949","","","0.123","0.1662","","","","","","0.926","","","","has coordinates,has disorder","242476","2020-10-21","18:00:00",""
"4132503","8.9854","0.0011","13.222","0.0016","16.513","0.002","68.563","0.002","79.735","0.002","87.455","0.002","1796.4","0.4","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H26 F12 O2 -","- C45 H26 F12 O2 -","- C90 H52 F24 O4 -","2","1","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","0.71073","MoKα","","0.0555","0.0474","","","0.117","0.1234","","","","","","1.022","","","","has coordinates,has disorder","242477","2020-10-21","18:00:00",""
"4132504","15.2965","0.0002","15.9067","0.0003","16.5026","0.0003","73.197","0.001","88.851","0.001","78.149","0.001","3758.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H30 F12 O2 -","- C47 H30 F12 O2 -","- C188 H120 F48 O8 -","4","2","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","1.54184","CuKα","","0.0598","0.0484","","","0.1291","0.1366","","","","","","1.049","","","","has coordinates,has disorder","242478","2020-10-21","18:00:00",""
"4132505","16.2853","0.0008","15.2445","0.0007","17.0808","0.0009","90","","107.963","0.001","90","","4033.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 F12 O2 -","- C49 H35 F12 O2 -","- C196 H140 F48 O8 -","4","1","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","0.71073","MoKα","","0.1174","0.0703","","","0.1725","0.2055","","","","","","1.028","","","","has coordinates,has disorder","242479","2020-10-21","18:00:00",""
"4132506","17.7003","0.0008","12.0897","0.0006","8.2601","0.0004","90","","90","","90","","1767.59","0.15","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Bowring, Miriam A.; Bradshaw, Liam R.; Parada, Giovanny A.; Pollock, Timothy P.; Fernández-Terán, Ricardo J; Kolmar, Scott S.; Mercado, Brandon Q.; Schlenker, Cody W.; Gamelin, Daniel R.; Mayer, James M.","Activationless Multiple-Site Concerted Proton-Electron Tunneling.","Journal of the American Chemical Society","2018","140","24","7449","7452","10.1021/jacs.8b04455","","","1.54184","CuKα","","0.0772","0.0679","","","0.1546","0.1598","","","","","","1.157","","","","has coordinates","242480","2020-10-21","18:00:00",""
"4132507","11.4235","0.0005","20.7153","0.0009","39.4855","0.0017","90","","90","","90","","9343.9","0.7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H32 Cl F8 N4 O1.5 Ru -","- C50 H32 Cl F8 N4 O1.5 Ru -","- C400 H256 Cl8 F64 N32 O12 Ru8 -","8","2","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0674","0.0565","","","0.1668","0.1774","","","","","","1.126","","","","has coordinates,has disorder","242481","2020-10-21","18:00:00",""
"4132508","20.0727","0.0013","12.7833","0.0008","20.2135","0.0013","90","","109.087","0.0017","90","","4901.6","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H29 F8 N4 O2 Ru -","- C50 H29 F8 N4 O2 Ru -","- C200 H116 F32 N16 O8 Ru4 -","4","0.5","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0604","0.0574","","","0.1572","0.1598","","","","","","1.13","","","","has coordinates,has disorder","242482","2020-10-21","18:00:00",""
"4132509","12.5729","0.0012","21.6205","0.0016","21.91","0.002","90","","95.011","0.004","90","","5933.1","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H52 Cl8 N4 O2 Ru -","- C61 H52 Cl8 N4 O2 Ru -","- C244 H208 Cl32 N16 O8 Ru4 -","4","1","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0781","0.0641","","","0.1642","0.1784","","","","","","1.069","","","","has coordinates,has disorder","242483","2020-10-21","18:00:00",""
"4132510","10.82435","0.00018","20.5867","0.0003","33.7361","0.0006","90","","95.9552","0.0017","90","","7477.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C122 H134 F24 N4 O20 P4 -","- C122 H134 F24 N4 O20 P4 -","- C244 H268 F48 N8 O40 P8 -","2","0.5","","Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","Viologen-Based Rotaxanes from Dibenzo-30-crown-10.","Journal of the American Chemical Society","2018","140","23","7358","7370","10.1021/jacs.8b04477","","x-ray","1.54184","CuKα","","0.0687","0.0572","","","0.1608","0.1691","","","","","","1.032","","","","has coordinates,has disorder","242484","2020-10-21","18:00:00",""
"4132511","17.3939","0.0001","25.8131","0.0001","21.8115","0.0001","90","","91.63","","90","","9789.19","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H35.5 Au O0.25 P -","- C24 H35.5 Au O0.25 P -","- C384 H568 Au16 O4 P16 -","16","4","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0786","0.0789","","","","","","1.115","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4132512","10.3057","0.0001","14.2256","0.0001","19.7173","0.0002","90","","90","","90","","2890.65","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Au O4 P -","- C29 H40 Au O4 P -","- C116 H160 Au4 O16 P4 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0276","0.0271","","","0.0636","0.0639","","","","","","1.046","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132513","20.9189","0.0002","17.0445","0.0002","26.4122","0.0003","90","","90","","90","","9417.33","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H67 Au F5 N O4 -","- C48 H67 Au F5 N O4 -","- C384 H536 Au8 F40 N8 O32 -","8","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71075","MoKα","","0.0819","0.061","","","0.1428","0.1547","","","","","","1.034","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132514","14.6204","0.0002","5.968","0.0001","19.8075","0.0002","90","","98.147","0.001","90","","1710.85","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Au2 O2 -","- C40 H50 Au2 O2 -","- C80 H100 Au4 O4 -","2","0.5","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0234","0.0223","","","0.0494","0.0497","","","","","","1.241","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132515","10.4674","0.0001","11.8922","0.0001","22.9414","0.0003","90","","100.833","0.001","90","","2804.86","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Au2 P2 -","- C26 H42 Au2 P2 -","- C104 H168 Au8 P8 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","1.54184","CuKα","","0.0282","0.0255","","","0.0681","0.0694","","","","","","1.082","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132516","10.289","0.002","37.957","0.006","9.791","0.002","90","","99.355","0.009","90","","3772.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H64 Ni O2 P2 -","- C41 H64 Ni O2 P2 -","- C164 H256 Ni4 O8 P8 -","4","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.067","0.0431","","","0.085","0.0948","","","","","","0.983","","","","has coordinates","242486","2020-10-21","18:00:00",""
"4132517","32.625","0.002","9.9735","0.0007","28.5895","0.0014","90","","90","","90","","9302.6","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H82 Ni2 O2 P2 -","- C51 H82 Ni2 O2 P2 -","- C408 H656 Ni16 O16 P16 -","8","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.204","0.0682","","","0.0982","0.1356","","","","","","0.936","","","","has coordinates,has disorder","242487","2020-10-21","18:00:00",""
"4132518","10.9948","0.0005","11.8656","0.0005","12.9686","0.0006","67.3623","0.0009","76.229","0.001","70.3121","0.0011","1458.77","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H102 Ni2 O8 P2 -","- C56 H102 Ni2 O8 P2 -","- C56 H102 Ni2 O8 P2 -","1","0.5","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.0337","0.0283","","","0.0702","0.0728","","","","","","1.025","","","","has coordinates,has disorder","242488","2020-10-21","18:00:00",""
"4132519","10.1725","0.001","11.8432","0.0012","13.0967","0.0013","87.134","0.001","83.968","0.001","79.187","0.001","1540.5","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 P4 Ru Si2 -","- C70 H66 P4 Ru Si2 -","- C70 H66 P4 Ru Si2 -","1","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.0238","0.0221","","","0.0557","0.057","","","","","","1.0504","","","","has coordinates","242489","2020-10-21","18:00:00",""
"4132520","28.328","0.003","17.7028","0.0017","17.0686","0.0016","90","","120.73","0.001","90","","7357.7","1.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H72 Au2 Cl8 N4 P4 Ru -","- C74 H72 Au2 Cl8 N4 P4 Ru -","- C296 H288 Au8 Cl32 N16 P16 Ru4 -","4","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.0696","0.0537","","","0.1481","0.1613","","","","","","1.0479","","","","has coordinates","242490","2020-10-21","18:00:00",""
"4132521","26.639","0.005","10.0264","0.0017","25.445","0.004","90","","97.375","0.002","90","","6740","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H72 P4 Ru Si2 -","- C80 H72 P4 Ru Si2 -","- C320 H288 P16 Ru4 Si8 -","4","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.1291","0.0856","","","0.1806","0.1996","","","","","","1.1077","","","","has coordinates,has disorder","242491","2020-10-21","18:00:00",""
"4132522","9.8224","0.0003","6.6868","0.0002","17.4224","0.0006","90","","91.738","0.002","90","","1143.78","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N O4 S -","- C25 H33 N O4 S -","- C50 H66 N2 O8 S2 -","2","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0474","0.0414","","","0.0991","0.1021","","","","","","1.043","","","","has coordinates","242492","2020-10-21","18:00:00",""
"4132523","5.0523","0.0002","16.423","0.0005","17.2698","0.0005","90","","90","","90","","1432.94","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0356","0.0322","","","0.0762","0.0782","","","","","","1.05","","","","has coordinates","242493","2020-10-21","18:00:00",""
"4132524","5.0568","0.0001","16.3847","0.0004","17.2832","0.0004","90","","90","","90","","1431.98","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0322","0.0284","","","0.0683","0.07","","","","","","1.036","","","","has coordinates","242494","2020-10-21","18:00:00",""
"4132525","36.382","0.003","36.382","0.003","15.489","0.0015","90","","90","","90","","20502","3","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H222 Cu6 Fe2 N12 Ni4 O118 -","- C78 H60 Cu6 Fe2 N12 Ni4 O56 -","- C312 H240 Cu24 Fe8 N48 Ni16 O224 -","4","0.25","","Tejeda-Serrano, María; Mon, Marta; Ross, Bethany; Gonell, Francisco; Ferrando-Soria, Jesús; Corma, Avelino; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Isolated Fe(III)-O Sites Catalyze the Hydrogenation of Acetylene in Ethylene Flows under Front-End Industrial Conditions.","Journal of the American Chemical Society","2018","140","28","8827","8832","10.1021/jacs.8b04669","","","0.71073","MoKα","","0.1904","0.1472","","","0.4171","0.4417","","","","","","1.365","","","","has coordinates","242495","2020-10-21","18:00:00",""
"4132526","9.47238","0.0001","9.82216","0.00011","27.9989","0.0003","90","","98.9437","0.001","90","","2573.32","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl Cu N8 O4 -","- C25 H25 Cl Cu N8 O4 -","- C100 H100 Cl4 Cu4 N32 O16 -","4","1","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0309","0.0281","","","0.0756","0.0776","","","","","","1.033","","","","has coordinates,has disorder","242496","2020-10-21","18:00:00",""
"4132527","20.0003","0.0002","10.59484","0.00012","15.22292","0.00019","90","","99.1402","0.0012","90","","3184.78","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 Cu F5 N5 O9 -","- C28 H26 Cl2 Cu F5 N5 O9 -","- C112 H104 Cl8 Cu4 F20 N20 O36 -","4","1","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0297","0.0274","","","0.0717","0.0737","","","","","","1.018","","","","has coordinates","242497","2020-10-21","18:00:00",""
"4132528","19.8184","0.0003","23.5255","0.0004","23.9366","0.0003","112.269","0.0015","106.518","0.0013","102.112","0.0014","9245.6","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.33 H45.83 Cu2 F22 N10 O0.58 Sb2 -","- C52.3307 H45.8267 Cu2 F22 N10 O0.582667 Sb2 -","- C313.984 H274.96 Cu12 F132 N60 O3.496 Sb12 -","6","3","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0505","0.0433","","","0.1087","0.1117","","","","","","0.986","","","","has coordinates,has disorder","242498","2020-10-21","18:00:00",""
"4132529","16.9714","0.0004","25.4865","0.0005","30.1352","0.0007","113.519","0.002","94.289","0.002","95.9659","0.0017","11790.2","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 Cu F8 N8 O3.5 S -","- C26 H21 Cu F8 N8 O3.5 S -","- C416 H336 Cu16 F128 N128 O56 S16 -","16","8","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.1092","0.062","","","0.1512","0.1808","","","","","","1","","","","has coordinates,has disorder","242499","2020-10-21","18:00:00",""
"4132530","18.8651","0.0007","19.7892","0.0008","20.6097","0.0008","69.546","0.004","85.836","0.003","67.732","0.004","6655.5","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C141 H157 Cl15 N10 O0 Zn2 -","- C141 H157 Cl15 N10 Zn2 -","- C282 H314 Cl30 N20 Zn4 -","2","1","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.1748","0.0938","","","0.2328","0.2856","","","","","","1.014","","","","has coordinates,has disorder","242500","2020-10-21","18:00:00",""
"4132531","25.7724","0.0008","36.8812","0.0009","30.7405","0.0007","90","","96.752","0.002","90","","29016.7","1.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C661.53 H697.2 Cl25.75 N36.45 Ni8 -","- C661.536 H697.198 Cl25.756 N36.44 Ni8 -","- C1323.07 H1394.4 Cl51.512 N72.88 Ni16 -","2","0.25","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.094","0.0808","","","0.2203","0.2326","","","","","","1.044","","","","has coordinates,has disorder","242501","2020-10-21","18:00:00",""
"4132532","17.92","0.0002","40.8305","0.0003","18.667","0.0001","90","","105.355","0.001","90","","13170.8","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C293.49 H319.68 Cl5.64 N19.83 O4.62 Zn4 -","- C293.492 H319.686 Cl5.638 N19.832 O4.622 Zn4 -","- C586.984 H639.372 Cl11.276 N39.664 O9.244 Zn8 -","2","0.5","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.0728","0.059","","","0.162","0.1742","","","","","","1.022","","","","has coordinates,has disorder","242502","2020-10-21","18:00:00",""
"4132533","17.5481","0.0008","20.1172","0.001","13.4385","0.0006","90","","101.468","0.002","90","","4649.3","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F6 N3 O4 Rh S -","- C24 H14 F6 N3 O4 Rh S -","- C192 H112 F48 N24 O32 Rh8 S8 -","8","1","","Chan, Alan Kwun-Wa; Ng, Maggie; Low, Kam-Hung; Yam, Vivian Wing-Wah","Versatile Control of Directed Supramolecular Assembly via Subtle Changes of the Rhodium(I) Pincer Building Blocks.","Journal of the American Chemical Society","2018","140","26","8321","8329","10.1021/jacs.8b04687","","","1.34138","GaKα","","0.0681","0.0493","","","0.0964","0.1024","","","","","","1.042","","","","has coordinates,has disorder","242503","2020-10-21","18:00:00",""
"4132534","8.3584","0.0004","14.816","0.0005","18.9753","0.0006","90","","90","","90","","2349.86","0.16","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0563","0.0469","","","0.1096","0.117","","","","","","1.084","","","","has coordinates","242504","2020-10-21","18:00:00",""
"4132535","5.88468","0.00005","24.088","0.0002","11.56387","0.00009","90","","92.8518","0.0007","90","","1637.15","0.02","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C78 H84 O18 -","6","3","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","1.54184","CuKα","","0.0253","0.025","","","0.0731","0.0734","","","","","","1.041","","","","has coordinates","242505","2020-10-21","18:00:00",""
"4132536","5.6458","0.0003","26.6994","0.0009","6.107","0.0002","90","","115.687","0.006","90","","829.59","0.07","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C38 H42 N2 O4 S2 -","2","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0382","0.0364","","","0.102","0.103","","","","","","1.067","","","","has coordinates","242506","2020-10-21","18:00:00",""
"4132537","8.9395","0.0003","9.5963","0.0004","14.4751","0.0006","104.785","0.001","100.092","0.001","106.757","0.001","1107.37","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl O4 P Pd -","- C23 H24 Cl O4 P Pd -","- C46 H48 Cl2 O8 P2 Pd2 -","2","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0192","0.0187","","","0.0568","0.0581","","","","","","1.0497","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132538","8.8242","0.0003","18.5471","0.0006","16.3705","0.0006","90","","103.122","0.001","90","","2609.29","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl O5 P2 Pd -","- C25 H31 Cl O5 P2 Pd -","- C100 H124 Cl4 O20 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","1.54178","CuKα","","0.0484","0.047","","","0.1195","0.1207","","","","","","1.0394","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132539","10.2642","0.0003","15.4645","0.0005","18.4446","0.0007","90","","90","","90","","2927.72","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0387","0.0338","","","0.0718","0.0741","","","","","","1.031","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132540","9.6631","0.0006","21.6925","0.0014","17.1226","0.001","90","","105.858","0.001","90","","3452.6","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Cl N2 O3 P2 Pd -","- C33 H49 Cl N2 O3 P2 Pd -","- C132 H196 Cl4 N8 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0244","0.0226","","","0.0594","0.0641","","","","","","1.033","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132541","8.7229","0.0004","15.938","0.0008","20.9835","0.0011","90","","98.316","0.001","90","","2886.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cl N O4 P Pd -","- C28 H37 Cl N O4 P Pd -","- C112 H148 Cl4 N4 O16 P4 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0258","0.0231","","","0.0616","0.0636","","","","","","1.1425","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132542","38.985","0.005","38.985","0.005","38.985","0.005","90","","90","","90","","59251","13","100","0.1","100","0.1","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C80 H66 N12 O40 Tb6 -","- C59.9988 H29.0022 N9.999 O37.9968 Tb5.9994 -","- C959.981 H464.035 N159.984 O607.949 Tb95.9904 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54184","CuKα","","0.2036","0.1386","","","0.3723","0.4185","","","","","","1.753","","","","has coordinates,has disorder","242508","2020-10-21","18:00:00",""
"4132543","39.74","0.001","39.74","0.001","56.261","0.002","90","","90","","90","","88851","4","100","0.1","100","0.1","","","","","","","","5","I 41","I 4bw","80","","","","- C178 H138 N8 O38 Tb6 -","- C174 H102 N6 O32 Tb6 -","- C1392 H816 N48 O256 Tb48 -","8","1","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.143","0.1404","","","0.3705","0.3748","","","","","","2.467","","","","has coordinates,has disorder","242509","2020-10-21","18:00:00",""
"4132544","46.0411","0.0004","46.0411","0.0004","46.0411","0.0004","90","","90","","90","","97597.1","1.5","100","0.1","100","0.1","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C136 H120 N8 O38 S6 Tb6 -","- C130.5 H99.5 N6 O38 S6 Tb6 -","- C2088 H1592 N96 O608 S96 Tb96 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.0551","0.0515","","","0.1561","0.1595","","","","","","1.094","","","","has coordinates,has disorder","242510","2020-10-21","18:00:00",""
"4132545","38.309","0.004","38.309","0.004","38.309","0.004","90","","90","","90","","56222","10","100","0.1","100","0.1","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C62 H54 F6 N6 O34 Tb6 -","- C23.9976 H8.9994 N5.9994 O33.9972 Tb5.9994 -","- C383.962 H143.99 N95.9904 O543.955 Tb95.9904 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.1212","0.11","","","0.3956","0.4314","","","","","","2.32","","","","has coordinates,has disorder","242511","2020-10-21","18:00:00",""
"4132546","45.6614","0.0005","45.6614","0.0005","45.6614","0.0005","90","","90","","90","","95202.4","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C134.73 H109.04 N5.58 O35.58 S6 Tb6 -","- C134.728 H109.03 N5.5758 O35.576 S6 Tb6 -","- C2155.64 H1744.49 N89.2128 O569.216 S96 Tb96 -","16","0.166667","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.0766","0.0744","","","0.2086","0.2141","","","","","","1.092","","","","has coordinates","242512","2020-10-21","18:00:00",""
"4132547","14.4874","0.0002","19.8805","0.0003","20.6103","0.0003","90","","90","","90","","5936.11","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Shaoxx-2-214","","","- C34 H30 Br N2 O P -","- C34 H30 Br N2 O P -","- C272 H240 Br8 N16 O8 P8 -","8","2","","Shao, Xinxin; Li, Kangnan; Malcolmson, Steven J.","Enantioselective Synthesis of anti-1,2-Diamines by Cu-Catalyzed Reductive Couplings of Azadienes with Aldimines and Ketimines.","Journal of the American Chemical Society","2018","140","23","7083","7087","10.1021/jacs.8b04750","","","0.71073","MoKα","","0.0353","0.028","","","0.0568","0.0589","","","","","","1.024","","","","has coordinates","242513","2020-10-21","18:00:00",""
"4132548","9.1525","0.001","12.9741","0.0012","27.813","0.003","90","","95.477","0.002","90","","3287.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.75 H26 Cl2.5 N2 O4 -","- C39.812 H26 Cl2.436 N2 O4 -","- C159.248 H104 Cl9.744 N8 O16 -","4","0.5","","Wu, Kailong; Zhang, Tao; Wang, Zian; Wang, Lian; Zhan, Lisi; Gong, Shaolong; Zhong, Cheng; Lu, Zheng-Hong; Zhang, Song; Yang, Chuluo","De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel.","Journal of the American Chemical Society","2018","140","28","8877","8886","10.1021/jacs.8b04795","","","0.71073","MoKα","","0.1283","0.0838","","","0.2561","0.3011","","","","","","1.035","","","","has coordinates,has disorder","242514","2020-10-21","18:00:00",""
"4132549","12.253","0.003","13.695","0.003","18.695","0.005","90","","102.729","0.006","90","","3060","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PXZDMePDO","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C164 H120 N8 O16 -","4","0.5","","Wu, Kailong; Zhang, Tao; Wang, Zian; Wang, Lian; Zhan, Lisi; Gong, Shaolong; Zhong, Cheng; Lu, Zheng-Hong; Zhang, Song; Yang, Chuluo","De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel.","Journal of the American Chemical Society","2018","140","28","8877","8886","10.1021/jacs.8b04795","","","0.71073","MoKα","","0.0552","0.0465","","","0.1245","0.1347","","","","","","1.029","","","","has coordinates","242515","2020-10-21","18:00:00",""
"4132550","15.4","0.0005","15.3943","0.0005","19.6252","0.0013","90","","90","","90","","4652.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H78 Cl3 Dy O4 P2 -","- C40 H78 Cl3 Dy O4 P2 -","- C160 H312 Cl12 Dy4 O16 P8 -","4","1","","Wang, Yu-Xia; Ma, Yinina; Chai, Yisheng; Shi, Wei; Sun, Young; Cheng, Peng","Observation of Magnetodielectric Effect in a Dysprosium-Based Single-Molecule Magnet.","Journal of the American Chemical Society","2018","140","25","7795","7798","10.1021/jacs.8b04818","","","0.71073","MoKα","","0.08","0.0612","","","0.1259","0.1451","","","","","","1.027","","","","has coordinates,has disorder","242516","2020-10-21","18:00:00",""
"4132551","20.2963","0.0015","17.9161","0.0013","15.4636","0.0011","90","","108.659","0.008","90","","5327.5","0.7","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C98 H162 Fe2 K2 N6 O20 -","- C98 H162 Fe2 K2 N6 O20 -","- C196 H324 Fe4 K4 N12 O40 -","2","0.25","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","0.71075","MoKα","","0.102","0.07","","","0.1472","0.1655","","","","","","1.14","","","","has coordinates,has disorder","242517","2020-10-21","18:00:00",""
"4132552","21.4377","0.0004","21.1501","0.0004","26.26","0.0018","90","","111.839","0.008","90","","11052","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H85 Fe K N6 O8 -","- C49 H85 Fe K N6 O8 -","- C392 H680 Fe8 K8 N48 O64 -","8","2","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","0.71075","MoKα","","0.0949","0.0687","","","0.1757","0.1922","","","","","","1.049","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132553","21.1375","0.0015","20.4561","0.0014","18.855","0.0013","90","","113.643","0.001","90","","7468.4","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Fe N4 Si2 -","- C35 H59 Fe N4 Si2 -","- C280 H472 Fe8 N32 Si16 -","8","2","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.0627","0.0448","","","0.1119","0.1228","","","","","","1.029","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132554","22.9536","0.0016","12.6698","0.0009","33.869","0.002","90","","106.622","0.002","90","","9438.1","1.1","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 Fe I2 K N2 O6 -","- C41 H65 Fe I2 K N2 O6 -","- C328 H520 Fe8 I16 K8 N16 O48 -","8","1","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.0715","0.0462","","","0.1012","0.1078","","","","","","0.94","","","","has coordinates,has disorder","242517","2020-10-21","18:00:00",""
"4132555","17.543","0.0012","16.6901","0.0012","20.3235","0.0014","90","","107.336","0.001","90","","5680.3","0.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H91 Fe K N2 O8 -","- C55 H91 Fe K N2 O8 -","- C220 H364 Fe4 K4 N8 O32 -","4","1","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.1103","0.0916","","","0.2632","0.2826","","","","","","1.054","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132556","8.441","0.002","11.844","0.003","16.46","0.004","96.665","0.003","100.755","0.003","103.614","0.003","1549","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Ir N3 O -","- C41 H32 Ir N3 O -","- C82 H64 Ir2 N6 O2 -","2","1","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0225","0.0206","","","0.0503","0.052","","","","","","1.094","","","","has coordinates","242518","2020-10-21","18:00:00",""
"4132557","12.9276","0.0005","24.1615","0.001","13.3586","0.0005","90","","116.226","0.0004","90","","3743","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl4 Ir N3 O S2 -","- C39 H32 Cl4 Ir N3 O S2 -","- C156 H128 Cl16 Ir4 N12 O4 S8 -","4","1","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0466","0.0387","","","0.105","0.1095","","","","","","1.051","","","","has coordinates,has disorder","242518","2020-10-21","18:00:00",""
"4132558","13.2791","0.0008","21.2737","0.0013","13.2932","0.0013","90","","102.215","0.0006","90","","3670.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 Cl2 Ir N4 S2 -","- C40 H37 Cl2 Ir N4 S2 -","- C160 H148 Cl8 Ir4 N16 S8 -","4","0.5","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0412","0.0259","","","0.055","0.0609","","","","","","1.016","","","","has coordinates","242518","2020-10-21","18:00:00",""
"4132559","17.0985","0.0011","13.5512","0.0009","21.4178","0.0014","90","","90","","90","","4962.6","0.6","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H59 Cr N2 P Si -","- C46 H59 Cr N2 P Si -","- C184 H236 Cr4 N8 P4 Si4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0588","0.0424","","","0.1053","0.1155","","","","","","1.035","","","","has coordinates","242519","2020-10-21","18:00:00",""
"4132560","11.0281","0.0006","16.9697","0.001","19.3066","0.0011","90","","101.422","0.001","90","","3541.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cr N2 Si2 -","- C32 H56 Cr N2 Si2 -","- C128 H224 Cr4 N8 Si8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0572","0.0422","","","0.108","0.1206","","","","","","1.014","","","","has coordinates","242520","2020-10-21","18:00:00",""
"4132561","9.8933","0.0015","17.768","0.003","19.173","0.003","90","","90","","90","","3370.3","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cr N2 -","- C38 H47 Cr N2 -","- C152 H188 Cr4 N8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0845","0.0515","","","0.1059","0.1214","","","","","","1.01","","","","has coordinates,has disorder","242521","2020-10-21","18:00:00",""
"4132562","12.4593","0.0004","12.8057","0.0004","30.868","0.001","90","","90","","90","","4925","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr N2 P -","- C47 H59 Cr N2 P -","- C188 H236 Cr4 N8 P4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.1055","0.0642","","","0.1181","0.1339","","","","","","0.969","","","","has coordinates","242522","2020-10-21","18:00:00",""
"4132563","9.9722","0.0003","11.1746","0.0003","17.0474","0.0004","72.227","0.001","74.053","0.002","65.581","0.001","1622.84","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 Cr N2 -","- C34 H52 Cr N2 -","- C68 H104 Cr2 N4 -","2","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","1.54178","CuKα","","0.0741","0.0714","","","0.1684","0.1697","","","","","","1.208","","","","has coordinates,has disorder","242523","2020-10-21","18:00:00",""
"4132564","29.365","","29.365","","29.365","","90","","90","","90","","25321.5","","110","2","110","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H48 N12 Ni3 O32 Zr6 -","- C72 H48 N12 Ni3 O32 Zr6 -","- C288 H192 N48 Ni12 O128 Zr24 -","4","0.0208333","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.0855","0.0823","","","0.2515","0.2594","","","","","","1.089","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132565","29.482","","29.482","","29.482","","90","","90","","90","","25625.4","","100","2","100","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H48 N12 O32 Pd3 Zr6 -","- C72 H48 N12 O32 Pd3 Zr6 -","- C288 H192 N48 O128 Pd12 Zr24 -","4","0.0208333","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.1785","0.103","","","0.2506","0.2886","","","","","","0.96","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132566","7.1382","0.0009","10.4292","0.0012","10.7797","0.0013","73.312","0.003","82.332","0.003","75.812","0.003","743.54","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Cl2 N2 Ni O8 S4 -","- C20 H34 Cl2 N2 Ni O8 S4 -","- C20 H34 Cl2 N2 Ni O8 S4 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0399","0.0319","","","0.0744","0.079","","","","","","1.17","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132567","6.2763","0.0004","6.8351","0.0004","9.243","0.0006","96.319","0.002","105.067","0.002","113.408","0.002","341.04","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0487","0.0401","","","0.0841","0.0875","","","","","","1.127","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132568","5.5954","0.0004","8.3386","0.0006","12.7456","0.0008","99.2697","0.0018","101.056","0.0019","98.754","0.002","565.64","0.07","110","2","110","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Cl2 N2 O6 Pd S2 -","- C16 H22 Cl2 N2 O6 Pd S2 -","- C16 H22 Cl2 N2 O6 Pd S2 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0593","0.0605","","","","","","1.244","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132569","7.0833","0.0003","10.3708","0.0005","10.9549","0.0005","71.8866","0.0009","83.9415","0.001","76.9365","0.001","744.53","0.06","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.0277","0.0267","","","0.0728","0.078","","","","","","1.081","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132570","6.2994","0.0004","6.7911","0.0004","9.1637","0.0005","98.9958","0.0018","105.053","0.0017","108.698","0.0018","346.07","0.04","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0433","0.0367","","","0.0799","0.0824","","","","","","1.088","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132571","17.2768","0.0012","7.2505","0.0005","11.1446","0.0008","90","","96.356","0.003","90","","1387.45","0.17","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C64 H104 O8 -","4","1","","Merchant, Rohan R.; Oberg, Kevin M.; Lin, Yutong; Novak, Alexander J. E.; Felding, Jakob; Baran, Phil S.","Divergent Synthesis of Pyrone Diterpenes via Radical Cross Coupling.","Journal of the American Chemical Society","2018","140","24","7462","7465","10.1021/jacs.8b04891","","x-ray","0.71073","MoKα","","0.0803","0.0496","","","0.1101","0.1254","","","","","","1.019","","","","has coordinates","242525","2020-10-21","18:00:00",""
"4132572","6.8589","0.0004","18.4294","0.0011","20.7665","0.0012","90","","94.9492","0.0019","90","","2615.2","0.3","114.44","","114.44","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F2 N4 -","- C33 H25 B F2 N4 -","- C132 H100 B4 F8 N16 -","4","1","","Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.","Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.","Journal of the American Chemical Society","2018","140","24","7730","7736","10.1021/jacs.8b04929","","","0.71073","MoKα","","0.08","0.0488","","","0.0929","0.1048","","","","","","1.052","","","","has coordinates","242526","2020-10-21","18:00:00",""
"4132573","11.4365","0.0004","12.9084","0.0005","13.2216","0.0005","90","","90.809","0.0012","90","","1951.67","0.13","100.02","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C76 H68 B4 F8 I8 N8 -","4","1","","Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.","Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.","Journal of the American Chemical Society","2018","140","24","7730","7736","10.1021/jacs.8b04929","","x-ray","0.71073","MoKα","","0.0252","0.0215","","","0.054","0.0558","","","","","","1.068","","","","has coordinates","242527","2020-10-21","18:00:00",""
"4132574","15.8551","0.0014","10.844","0.0011","15.1961","0.0013","90","","100.17","0.003","90","","2571.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N2 O2 P -","- C29 H37 N2 O2 P -","- C116 H148 N8 O8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.11","0.0518","","","0.1311","0.1569","","","","","","1.028","","","","has coordinates","242528","2020-10-21","18:00:00",""
"4132575","9.8219","0.0011","13.2831","0.0016","14.8369","0.0018","99.452","0.004","103.114","0.003","95.605","0.004","1841.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 N2 O4 P -","- C43 H45 N2 O4 P -","- C86 H90 N4 O8 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0917","0.0463","","","0.0927","0.1091","","","","","","1.006","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4132576","9.2238","0.0006","17.261","0.0012","17.5861","0.0011","90","","98.018","0.003","90","","2772.5","0.3","150","2","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39.5 Cl0.5 F3 N2 O3 S Si -","- C22 H39.5 Cl0.5 F3 N2 O3 S Si -","- C88 H158 Cl2 F12 N8 O12 S4 Si4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0948","0.0468","","","0.1097","0.1311","","","","","","1.014","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4132577","19.068","0.002","21.572","0.003","8.1409","0.0009","90","","90","","90","","3348.6","0.7","150","2","150.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C120 H248 B8 N16 -","8","0.5","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0713","0.0441","","","0.0931","0.1055","","","","","","1.05","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4132578","15.255","0.003","13.69","0.003","16.939","0.003","90","","104.621","0.004","90","","3423","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl8 N4 Ru -","- C28 H36 Cl8 N4 Ru -","- C112 H144 Cl32 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0799","0.0624","","","0.1695","0.1811","","","","","","1.072","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132579","10.3321","0.0014","15.1479","0.0018","17.801","0.002","90","","105.534","0.006","90","","2684.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ru -","- C26 H32 Cl2 N4 Ru -","- C104 H128 Cl8 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.184","0.0744","","","0.1351","0.1666","","","","","","1.019","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132580","15.5162","0.0014","11.1368","0.001","17.7144","0.0016","90","","114.52","0.001","90","","2785","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl3 N4 Ru -","- C26 H31 Cl3 N4 Ru -","- C104 H124 Cl12 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0379","0.0322","","","0.0873","0.0931","","","","","","0.787","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132581","19.27","0.002","9.9659","0.0012","11.8072","0.0014","90","","90","","90","","2267.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H29 Cl2 N3 Ru -","- C22 H29 Cl2 N3 Ru -","- C88 H116 Cl8 N12 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0589","0.044","","","0.0893","0.0952","","","","","","1.09","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132582","46.323","0.002","12.1188","0.0005","24.6506","0.001","90","","121.309","0.002","90","","11823.2","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H83 Co K2 N O2 -","- C55 H82.754 Co K2 N O2 -","- C440 H662.032 Co8 K16 N8 O16 -","8","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.0854","0.0489","","","0.0999","0.1122","","","","","","1.022","","","","has coordinates,has disorder","242530","2020-10-21","18:00:00",""
"4132583","11.4478","0.0006","12.1071","0.0007","21.3849","0.0012","82.679","0.003","86.994","0.003","81.566","0.003","2906.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H85 Co K N O -","- C65 H85 Co K N O -","- C130 H170 Co2 K2 N2 O2 -","2","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.1134","0.0904","","","0.2228","0.2386","","","","","","1.021","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132584","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.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132585","11.1895","0.0006","42.067","0.003","10.8206","0.0006","90","","108.693","0.003","90","","4824.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H75 Co K N O -","- C51 H75 Co K N O -","- C204 H300 Co4 K4 N4 O4 -","4","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0592","","","0.1083","0.1321","","","","","","0.985","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132586","12.4898","0.0004","12.5227","0.0004","20.6102","0.0006","93.054","0.001","104.868","0.001","110.926","0.001","2872.39","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H86 Co K N O Si -","- C59 H95 Co K N O Si -","- C118 H190 Co2 K2 N2 O2 Si2 -","2","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0503","0.0382","","","0.1001","0.108","","","","","","1.029","","","","has coordinates,has disorder","242530","2020-10-21","18:00:00",""
"4132587","14.8607","0.0004","14.8607","0.0004","6.7012","0.0003","90","","90","","120","","1281.63","0.08","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.049","0.0357","","","0.0682","0.0706","","","","","","1.012","","","","has coordinates","242531","2020-10-21","18:00:00",""
"4132588","14.9319","0.0004","14.9319","0.0004","6.7338","0.0002","90","","90","","120","","1300.23","0.06","373","2","373","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0536","0.0347","","","0.0586","0.0625","","","","","","1.046","","","","has coordinates","242532","2020-10-21","18:00:00",""
"4132589","14.7885","0.0005","14.7885","0.0005","6.6738","0.0003","90","","90","","120","","1264.01","0.08","223","2","223","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0411","0.0318","","","0.0742","0.0765","","","","","","1.022","","","","has coordinates","242533","2020-10-21","18:00:00",""
"4132590","14.6822","0.0005","14.6822","0.0005","6.6323","0.0003","90","","90","","120","","1238.16","0.08","93","2","93","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0465","0.0385","","","0.077","0.0789","","","","","","1.07","","","","has coordinates","242534","2020-10-21","18:00:00",""
"4132591","14.8806","0.0005","14.8806","0.0005","6.7146","0.0004","90","","90","","120","","1287.63","0.1","323","2","323","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0824","0.0466","","","0.0825","0.0858","","","","","","1.03","","","","has coordinates","242535","2020-10-21","18:00:00",""
"4132592","14.747","0.0004","14.747","0.0004","6.6608","0.0003","90","","90","","120","","1254.48","0.07","173","2","173","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0394","0.0289","","","0.0585","0.0604","","","","","","1.043","","","","has coordinates","242536","2020-10-21","18:00:00",""
"4132593","15.0014","0.0006","15.0014","0.0006","6.7669","0.0003","90","","90","","120","","1318.82","0.09","423","2","423","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0825","0.0427","","","0.0707","0.0774","","","","","","1.048","","","","has coordinates","242537","2020-10-21","18:00:00",""
"4132594","9.0108","0.0004","10.7633","0.0004","16.4963","0.0006","75.572","0.002","76.098","0.002","66.854","0.002","1406.42","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","LCM1/Acid","sarpong103","","- C27 H39 Br O6 Si -","- C27 H39 Br O6 Si -","- C54 H78 Br2 O12 Si2 -","2","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54178","CuKα","","0.0366","0.035","","","0.0948","0.0964","","","","","","1.051","","","","has coordinates","242538","2020-10-21","18:00:00",""
"4132595","10.7865","0.0002","12.1566","0.0002","14.757","0.0003","90","","90","","90","","1935.04","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl3 N O2 -","- C20 H26 Cl3 N O2 -","- C80 H104 Cl12 N4 O8 -","4","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54184","CuKα","","0.0479","0.0452","","","0.1213","0.1228","","","","","","1.072","","","","has coordinates","242540","2020-10-21","18:00:00",""
"4132596","15.6465","0.0004","16.924","0.0004","19.6011","0.0005","90","","90","","90","","5190.4","0.2","100","2","100.04","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H48 Cl7 Cu Fe N2 O2 -","- C57 H48 Cl7 Cu Fe N2 O2 -","- C228 H192 Cl28 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","0.71073","MoKα","","0.0574","0.0479","","","0.1319","0.1371","","","","","","1.071","","","","has coordinates","242542","2020-10-21","18:00:00",""
"4132597","18.3929","0.0016","9.5949","0.0008","18.9878","0.0017","90","","96.359","0.005","90","","3330.3","0.5","250","2","249.99","","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C34 H34 Cl Cu Fe N2 O -","- C34 H34 Cl Cu Fe N2 O -","- C136 H136 Cl4 Cu4 Fe4 N8 O4 -","4","2","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.134","0.0691","","","0.163","0.2034","","","","","","0.972","","","","has coordinates","242543","2020-10-21","18:00:00",""
"4132598","11.4799","0.001","15.0428","0.0013","15.3127","0.0013","90","","90","","90","","2644.3","0.4","99.98","","99.98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl Cu Fe N2 O2 -","- C29 H32 Cl Cu Fe N2 O2 -","- C116 H128 Cl4 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0211","0.0211","","","0.0558","0.0558","","","","","","1.058","","","","has coordinates","242544","2020-10-21","18:00:00",""
"4132599","10.9592","0.0017","9.3307","0.0012","16.2386","0.0019","90","","91.805","0.011","90","","1659.7","0.4","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 B N3 O5 -","- C35 H46 B N3 O5 -","- C70 H92 B2 N6 O10 -","2","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0989","0.0574","","","0.1173","0.1361","","","","","","0.989","","","","has coordinates","242545","2020-10-21","18:00:00",""
"4132600","16.6368","0.0005","18.0871","0.0006","19.3244","0.0007","84.612","0.003","80.119","0.003","64.846","0.003","5184","0.3","180","2","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.77 H59.54 N2 O15 Yb2 -","- C70.78 H59.56 N2 O15 Yb2 -","- C141.56 H119.12 N4 O30 Yb4 -","2","1","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0735","0.059","","","0.1611","0.1744","","","","","","0.964","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4132601","10.4209","0.0003","7.9301","0.0002","18.7758","0.0005","90","","104.06","0.003","90","","1505.13","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 O6 S2 -","- C34 H32 O6 S2 -","- C68 H64 O12 S4 -","2","0.5","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.05","0.0486","","","0.1298","0.1311","","","","","","1.044","","","","has coordinates","242548","2020-10-21","18:00:00",""
"4132602","9.2901","0.0005","13.6758","0.0007","14.4243","0.0008","66.913","0.005","74.315","0.005","74.609","0.004","1596.55","0.16","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0548","0.0418","","","0.103","0.1132","","","","","","1.017","","","","has coordinates","242549","2020-10-21","18:00:00",""
"4132603","10.6198","0.0003","12.0108","0.0003","12.5761","0.0003","90","","96.716","0.002","90","","1593.1","0.07","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","0.5","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0507","0.0404","","","0.1004","0.1082","","","","","","1.043","","","","has coordinates","242550","2020-10-21","18:00:00",""
"4132604","12.9712","0.001","7.0406","0.0005","13.2586","0.0009","90","","102.884","0.005","90","","1180.36","0.15","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17.5 N0.5 O2 -","- C13 H17.25 N0.5 O2 -","- C52 H69 N2 O8 -","4","2","","Kapoor, Mohit; Liu, Daniel; Young, Michael C.","Carbon Dioxide-Mediated C(sp<sup>3</sup>)-H Arylation of Amine Substrates.","Journal of the American Chemical Society","2018","140","22","6818","6822","10.1021/jacs.8b05061","","","1.54178","CuKα","","0.0429","0.04","","","0.1204","0.1233","","","","","","1.089","","","","has coordinates","242551","2020-10-21","18:00:00",""
"4132605","43.0969","0.0006","37.9996","0.0004","36.5407","0.0006","90","","110.741","0.002","90","","55963.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C450.5 H382.5 B16 F88 Fe8 N76 -","- C450.5 H382.5 B11.15 F68.6 Fe8 N76 -","- C1802 H1530 B44.6 F274.4 Fe32 N304 -","4","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","synchrotron","","0.1618","0.1462","","","0.381","0.3952","","","","","","1.056","","","","has coordinates,has disorder","242552","2020-10-21","18:00:00",""
"4132606","49.486","0.01","28.207","0.006","48.662","0.009","90","","96.856","0.002","90","","67439","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C640 H639 F138 Fe8 N86 P19 -","- C640 H639 F138 Fe8 N86 P19 -","- C2560 H2556 F552 Fe32 N344 P76 -","4","0.5","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","synchrotron","","0.1679","0.1279","","","0.3491","0.3932","","","","","","1.236","","","","has coordinates,has disorder","242553","2020-10-21","18:00:00",""
"4132607","36.2842","0.0007","36.3797","0.0006","49.0016","0.0009","90","","95.956","0.002","90","","64333","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C490 H507 F108 Fe8 N75 O24 P18 -","- C490 H507 F78.6 Fe8 N75 O24 P13.1 -","- C1960 H2028 F314.4 Fe32 N300 O96 P52.4 -","4","0.5","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","Synchrotron","","0.1796","0.1607","","","0.4251","0.4404","","","","","","1.165","","","","has coordinates,has disorder","242554","2020-10-21","18:00:00",""
"4132608","6.9433","0.0003","11.2978","0.0011","22.534","0.003","90","","90","","90","","1767.7","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C18 H14 Fe O7 -","- C18 H14 Fe O7 -","- C72 H56 Fe4 O28 -","4","1","","Zhuo, Chun-Xiang; Fürstner, Alois","Catalysis-Based Total Syntheses of Pateamine A and DMDA-Pat A.","Journal of the American Chemical Society","2018","140","33","10514","10523","10.1021/jacs.8b05094","","","","","","","","","","","","","","","","","","","","","has coordinates","242555","2020-10-21","18:00:00",""
"4132609","9.816","0.003","18.649","0.004","11.003","0.002","90","","98.09","0.006","90","","1994.1","0.8","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Kerkovius, Jeff K.; Kerr, Michael A.","Total Synthesis of Isodihydrokoumine, (19 Z)-Taberpsychine, and (4 R)-Isodihydroukoumine N<sub>4</sub>-Oxide.","Journal of the American Chemical Society","2018","140","27","8415","8419","10.1021/jacs.8b05095","","","1.54178","CuKα","","0.0927","0.0812","","","0.2478","0.2613","","","","","","1.07","","","","has coordinates,has disorder","242556","2020-10-21","18:00:00",""
"4132610","9.9399","0.0006","13.1293","0.0007","13.1412","0.0007","114.292","0.002","101.059","0.002","90.719","0.002","1526.07","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Ag2 N6 P4 -","- C72 H60 Ag2 N6 P4 -","- C72 H60 Ag2 N6 P4 -","1","0.5","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.0613","0.0416","","","0.0798","0.086","","","","","","1.03","","","","has coordinates","242557","2020-10-21","18:00:00",""
"4132611","22.291","0.011","5.553","0.003","6.631","0.003","90","","90","","90","","820.8","0.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Ag2 N4 -","- C6 H6 Ag2 N4 -","- C24 H24 Ag8 N16 -","4","1","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.1137","0.0903","","","0.2028","0.2186","","","","","","1.186","","","","has coordinates","242558","2020-10-21","18:00:00",""
"4132612","39.554","0.003","39.554","0.003","16.43","0.0015","90","","90","","120","","22261","3","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C94 H53.6 O33.7 V1.1 Zr6 -","- C94 H53.6 O33.12 V1.02 Zr6 -","- C282 H160.8 O99.36 V3.06 Zr18 -","3","0.125","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","0.71073","MoKα","","0.0963","0.0727","","","0.2307","0.2487","","","","","","1.098","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132613","34.9765","0.001","34.9765","0.001","34.9765","0.001","90","","90","","90","","42789","2","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.1 V1.5 -","- C18 H6 Hf6 O33.0792 V1.5 -","- C288 H96 Hf96 O529.267 V24 -","16","0.0833333","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","1.54178","CuKα","","0.0411","0.0354","","","0.1277","0.1312","","","","","","1.165","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132614","34.893","0.003","34.893","0.003","34.893","0.003","90","","90","","90","","42483","6","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.4 V1.44 -","- C18 H6 Hf6 O34.3992 V1.44 -","- C288 H96 Hf96 O550.387 V23.04 -","16","0.0833333","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","0.71073","MoKα","","0.0608","0.0403","","","0.1063","0.114","","","","","","1.02","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132615","22.0129","0.0015","17.2789","0.0012","17.2384","0.0011","90","","115.933","0.004","90","","5896.5","0.7","100","2","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cl Co F12 N5 P2 -","- C27 H23 Cl Co F12 N5 P2 -","- C216 H184 Cl8 Co8 F96 N40 P16 -","8","1","","Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan","Electronic and Steric Tuning of Catalytic H<sub>2</sub> Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.","Journal of the American Chemical Society","2018","140","29","9219","9229","10.1021/jacs.8b05108","","","1.54178","CuKα","","0.0877","0.0714","","","0.148","0.1584","","","","","","1.133","","","","has coordinates","242560","2020-10-21","18:00:00",""
"4132616","14.6956","0.0019","17.882","0.003","25.751","0.003","90","","100.363","0.004","90","","6656.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 Co2 F30 N10 O6 P5 -","- C54 H57 Co2 F30 N10 O6 P5 -","- C216 H228 Co8 F120 N40 O24 P20 -","4","1","","Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan","Electronic and Steric Tuning of Catalytic H<sub>2</sub> Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.","Journal of the American Chemical Society","2018","140","29","9219","9229","10.1021/jacs.8b05108","","","0.71073","MoKα","","0.0832","0.0575","","","0.1626","0.1902","","","","","","1.061","","","","has coordinates,has disorder","242561","2020-10-21","18:00:00",""
"4132617","11.6372","0.0004","44.6425","0.0016","20.0826","0.0007","90","","96.7742","0.0011","90","","10360.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Cl N5 O P2 Ru -","- C41 H32 Cl N5 O P2 Ru -","- C492 H384 Cl12 N60 O12 P24 Ru12 -","12","3","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0806","0.0436","","","0.096","0.1143","","","","","","1.014","","","","has coordinates,has disorder","242562","2020-10-21","18:00:00",""
"4132618","11.4147","0.0003","24.3387","0.0008","13.5456","0.0004","90","","92.1539","0.0011","90","","3760.57","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl4 N5 P2 Ru -","- C41 H33 Cl4 N5 P2 Ru -","- C164 H132 Cl16 N20 P8 Ru4 -","4","1","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0399","0.0278","","","0.0666","0.0722","","","","","","1.041","","","","has coordinates,has disorder","242563","2020-10-21","18:00:00",""
"4132619","23.2935","0.0015","10.5714","0.0007","15.8503","0.001","90","","116.124","0.002","90","","3504.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N5 P -","- C22 H16 N5 P -","- C176 H128 N40 P8 -","8","1","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0523","0.0397","","","0.1028","0.11","","","","","","1.035","","","","has coordinates","242565","2020-10-21","18:00:00",""
"4132620","13.644","0.0018","10.2135","0.0013","21.876","0.003","90","","100.755","0.008","90","","2994.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F10 S -","- C33 H23 B F10 S -","- C132 H92 B4 F40 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1154","0.0579","","","0.1578","0.2067","","","","","","0.999","","","","has coordinates","242566","2020-10-21","18:00:00",""
"4132621","19.669","0.006","10.679","0.002","20.378","0.004","90","","117.285","0.007","90","","3804.1","1.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H13 B F10 S -","- C19 H13 B F10 S -","- C152 H104 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0876","0.0473","","","0.0969","0.111","","","","","","1.021","","","","has coordinates","242568","2020-10-21","18:00:00",""
"4132622","18.681","0.0016","11.4846","0.0016","28.874","0.003","90","","108.779","0.005","90","","5865","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H23 B F10 S -","- C33 H23 B F10 S -","- C264 H184 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0625","0.0422","","","0.1079","0.1244","","","","","","1.062","","","","has coordinates","242569","2020-10-21","18:00:00",""
"4132623","7.6225","0.0016","12.48","0.003","13.343","0.003","99.233","0.005","102.536","0.005","98.225","0.006","1202","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 B F10 S -","- C25 H17 B F10 S -","- C50 H34 B2 F20 S2 -","2","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1575","0.0559","","","0.1219","0.1758","","","","","","1.012","","","","has coordinates","242570","2020-10-21","18:00:00",""
"4132624","9.3368","0.0006","17.8578","0.0009","16.328","0.0011","90","","101.12","0.002","90","","2671.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B F10 N S -","- C28 H20 B F10 N S -","- C112 H80 B4 F40 N4 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.111","0.0504","","","0.0965","0.1203","","","","","","1.005","","","","has coordinates","242571","2020-10-21","18:00:00",""
"4132625","10.054","0.003","12.313","0.004","23.109","0.007","90","","97.593","0.016","90","","2835.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B F10 N S -","- C30 H22 B F10 N S -","- C120 H88 B4 F40 N4 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1286","0.0603","","","0.1613","0.2344","","","","","","1.068","","","","has coordinates","242572","2020-10-21","18:00:00",""
"4132626","14.2598","0.0006","11.7679","0.0005","15.0014","0.0007","90","","106.365","0.005","90","","2415.37","0.19","293.94","0.19","293.94","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Ag2 Cl6 N4 S2 -","- C42 H52 Ag2 Cl6 N4 S2 -","- C84 H104 Ag4 Cl12 N8 S4 -","2","0.5","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","0.71073","MoKα","","0.0809","0.053","","","0.1249","0.1433","","","","","","1.033","","","","has coordinates","242573","2020-10-21","18:00:00",""
"4132627","12.3475","0.0008","7.5762","0.0007","23.0412","0.0016","90","","104.263","0.007","90","","2089","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H25 Cl2 Cu N2 S -","- C20.5 H25 Cl2 Cu N2 S -","- C82 H100 Cl8 Cu4 N8 S4 -","4","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","0.71073","MoKα","","0.1138","0.068","","","0.1294","0.1621","","","","","","1.062","","","","has coordinates,has disorder","242574","2020-10-21","18:00:00",""
"4132628","8.5453","0.0003","10.0951","0.0003","12.3151","0.0004","104.024","0.003","106.985","0.003","94.21","0.003","973.77","0.06","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Au Cl N2 S -","- C20 H24 Au Cl N2 S -","- C40 H48 Au2 Cl2 N4 S2 -","2","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0241","0.0239","","","0.0614","0.0616","","","","","","1.115","","","","has coordinates","242575","2020-10-21","18:00:00",""
"4132629","22.3899","0.0002","17.9598","0.0001","18.6379","0.0002","90","","111.629","0.001","90","","6966.94","0.12","99.97","0.1","99.97","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Au Cl O2 P2 S2 -","- C30 H50 Au Cl O2 P2 S2 -","- C240 H400 Au8 Cl8 O16 P16 S16 -","8","2","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.041","0.0363","","","0.0896","0.0942","","","","","","1.085","","","","has coordinates,has disorder","242576","2020-10-21","18:00:00",""
"4132630","32.2745","0.0012","7.7536","0.0002","23.0815","0.0007","90","","109.981","0.004","90","","5428.3","0.3","99.9","0.2","99.9","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Au Cl3 N2 S -","- C27 H30 Au Cl3 N2 S -","- C216 H240 Au8 Cl24 N16 S8 -","8","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0618","0.0586","","","0.1494","0.1522","","","","","","1.034","","","","has coordinates,has disorder","242577","2020-10-21","18:00:00",""
"4132631","9.34","0.0005","9.4284","0.0005","9.9843","0.0005","80.472","0.004","72.891","0.005","73.52","0.004","802.56","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Au Cl N2 S -","- C14 H20 Au Cl N2 S -","- C28 H40 Au2 Cl2 N4 S2 -","2","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0419","0.0406","","","0.1037","0.1055","","","","","","1.064","","","","has coordinates","242578","2020-10-21","18:00:00",""
"4132632","17.2695","0.0012","8.4949","0.0006","21.739","0.0015","90","","108.14","0.003","90","","3030.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C120 H216 N12 O12 -","6","3","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Correction to ""Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes"".","Journal of the American Chemical Society","2018","140","24","7746","","10.1021/jacs.8b05247","","","1.54178","CuKα","","0.0387","0.0363","","","0.0969","0.0991","","","","","","1.047","","","","has coordinates","242579","2020-10-21","18:00:00",""
"4132633","20.7123","0.0012","20.7123","0.0012","20.7123","0.0012","90","","90","","90","","8885.6","0.9","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O29.36 Zr6 -","- C170.88 H101.44 O117.44 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","synchrotron","","0.0223","0.0214","","","0.0569","0.0578","","","","","","1.196","","","","has coordinates,has disorder","242580","2020-10-21","18:00:00",""
"4132634","40.561","0.006","40.561","0.006","40.561","0.006","90","","90","","90","","66731","17","100.15","","100.15","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","MOF-1004_100K_DMf","","- C132 H64 O27 Zr6 -","- C132 H64 O32 Zr6 -","- C792 H384 O192 Zr36 -","6","0.125","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","synchrotron","","0.1146","0.066","","","0.1853","0.292","","","","","","1.198","","","","has coordinates","242581","2020-10-21","18:00:00",""
"4132635","26.8422","0.0006","26.8422","0.0006","26.8422","0.0006","90","","90","","90","","19339.9","0.7","260.15","","260.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C64.5 H41 O28.5 Zr6 -","- C64.716 H40.96 O32 Zr6 -","- C258.864 H163.84 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","1.54178","CuKα","","0.0303","0.026","","","0.0719","0.0737","","","","","","1.181","","","","has coordinates,has disorder","242582","2020-10-21","18:00:00",""
"4132636","20.7439","0.0006","20.7439","0.0006","20.7439","0.0006","90","","90","","90","","8926.3","0.4","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Uio-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O32 Zr6 -","- C170.88 H101.44 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","","","0.044","0.0361","","","0.1035","0.1101","","","","","","1.095","","","","has coordinates,has disorder","242583","2020-10-21","18:00:00",""
"4132637","41.367","0.005","41.367","0.005","41.367","0.005","90","","90","","90","","70788","15","290","","290.15","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","MOF-1004","","- C132 H64 O27 Zr6 -","- C132 H64 O32 Zr6 -","- C792 H384 O192 Zr36 -","6","0.125","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","synchrotron","","0.0476","0.0419","","","0.1155","0.124","","","","","","1.059","","","","has coordinates","242584","2020-10-21","18:00:00",""
"4132638","26.684","0.0014","26.684","0.0014","26.684","0.0014","90","","90","","90","","19000","1.7","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C64.5 H41 O28.5 Zr6 -","- C64.68 H40.96 O32 Zr6 -","- C258.72 H163.84 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","1.54178","CuKα","","0.0572","0.0486","","","0.1148","0.1206","","","","","","1.166","","","","has coordinates,has disorder","242585","2020-10-21","18:00:00",""
"4132639","20.7549","0.0006","20.7549","0.0006","20.7549","0.0006","90","","90","","90","","8940.5","0.4","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O32 Zr6 -","- C170.88 H101.44 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","Synchrotron","","0.0439","0.0384","","","0.1008","0.1043","","","","","","1.104","","","","has coordinates,has disorder","242586","2020-10-21","18:00:00",""
"4132640","26.8341","0.0017","26.8341","0.0017","26.8341","0.0017","90","","90","","90","","19322","2","260","","260.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C84 H52 O32 Zr6 -","- C80.64 H50.08 O32 Zr6 -","- C322.56 H200.32 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","0.7749","synchrotron","","0.0563","0.0527","","","0.1512","0.1549","","","","","","1.201","","","","has coordinates,has disorder","242587","2020-10-21","18:00:00",""
"4132641","38.764","0.003","38.764","0.003","38.764","0.003","90","","90","","90","","58249","8","290","2","290.15","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","MOF-1005","","- C144 H72 O38.4 Zr7.2 -","- C144 H72 O38.4 Zr7.2 -","- C432 H216 O115.2 Zr21.6 -","3","0.0625","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","","","0.1851","0.156","","","0.4181","0.4636","","","","","","2.234","","","","has coordinates,has disorder","242588","2020-10-21","18:00:00",""
"4132642","10.1551","0.0004","15.5316","0.0008","20.0248","0.0011","90","","90.702","0.004","90","","3158.2","0.3","192.99","0.1","192.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H36 F3 O21 S V6 -","- C13 H36 F3 O21 S V6 -","- C52 H144 F12 O84 S4 V24 -","4","1","","Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Oxygen-Atom Vacancy Formation at Polyoxovanadate Clusters: Homogeneous Models for Reducible Metal Oxides.","Journal of the American Chemical Society","2018","140","27","8424","8428","10.1021/jacs.8b05298","","x-ray","1.54184","CuKα","","0.0684","0.0568","","","0.1498","0.1598","","","","","","1.065","","","","has coordinates,has disorder","242589","2020-10-21","18:00:00",""
"4132643","33.494","0.003","33.494","0.003","17.224","0.0017","90","","90","","120","","16734","3","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H252 F12 N36 P2 -","- C264 H252 F12.0012 N36 P2.0002 -","- C792 H756 F36.0036 N108 P6.0006 -","3","0.166667","","Liu, Zhichang; Frasconi, Marco; Liu, Wei-Guang; Zhang, Yu; Dyar, Scott M.; Shen, Dengke; Sarjeant, Amy A.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mixed-Valence Superstructure Assembled from a Mixed-Valence Host-Guest Complex.","Journal of the American Chemical Society","2018","140","30","9387","9391","10.1021/jacs.8b05322","","","1.54178","CuKα","","0.06","0.0534","","","0.1722","0.1809","","","","","","1.096","","","","has coordinates,has disorder","242590","2020-10-21","18:00:00",""
"4132644","10.983","0.0004","16.5417","0.0007","9.7709","0.0006","90","","102.979","0.001","90","","1729.8","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C68 H80 O24 S4 -","4","1","","Huang, Hanchu; Sun, Bohan; Huang, Yingzi; Niu, Jia","Radical Cascade-Triggered Controlled Ring-Opening Polymerization of Macrocyclic Monomers.","Journal of the American Chemical Society","2018","140","33","10402","10406","10.1021/jacs.8b05365","","","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.019","","","","has coordinates","242591","2020-10-21","18:00:00",""
"4132645","10.9353","0.0011","13.4608","0.0014","14.6526","0.0015","90","","90","","90","","2156.8","0.4","190","2","190","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H37 N Si Ti -","- C21 H37 N Si Ti -","- C84 H148 N4 Si4 Ti4 -","4","0.5","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0598","0.0518","","","0.1397","0.1494","","","","","","1.023","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132646","11.1297","0.0015","13.3297","0.0018","29.346","0.004","90","","90.0065","0.0017","90","","4353.6","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 N Si Zr -","- C21 H37 N Si Zr -","- C168 H296 N8 Si8 Zr8 -","8","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0327","0.0297","","","0.0905","0.0957","","","","","","1.144","","","","has coordinates,has disorder","242592","2020-10-21","18:00:00",""
"4132647","11.0664","0.0014","13.3567","0.0017","29.381","0.004","90","","90.0186","0.0016","90","","4342.8","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Hf N Si -","- C21 H37 Hf N Si -","- C168 H296 Hf8 N8 Si8 -","8","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0267","0.0255","","","0.0597","0.0604","","","","","","1.189","","","","has coordinates,has disorder","242592","2020-10-21","18:00:00",""
"4132648","19.119","0.002","10.0925","0.0012","17.663","0.002","90","","104.751","0.002","90","","3295.9","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 N3 Si Ti -","- C31 H55 N3 Si Ti -","- C124 H220 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0696","0.0442","","","0.1101","0.1265","","","","","","0.969","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132649","9.827","0.002","16.38","0.003","16.788","0.003","90","","93.032","0.003","90","","2698.5","0.9","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 Hf N2 Si -","- C26 H46 Hf N2 Si -","- C104 H184 Hf4 N8 Si4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0239","0.0182","","","0.0424","0.0447","","","","","","1.038","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132650","10.0272","0.0003","11.4817","0.0004","14.1819","0.0005","79.88","","77.87","","86.752","0.001","1571.13","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 Hf N3 Si -","- C31 H55 Hf N3 Si -","- C62 H110 Hf2 N6 Si2 -","2","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0203","0.0186","","","0.0448","0.0457","","","","","","1.045","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132651","13.7387","0.0006","14.6755","0.0007","18.1687","0.0008","84.7857","0.0006","77.1608","0.0006","89.5164","0.0006","3556.6","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 Hf N3 Si -","- C39 H55 Hf N3 Si -","- C156 H220 Hf4 N12 Si4 -","4","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0456","0.0345","","","0.077","0.081","","","","","","1.107","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132652","13.7071","0.0016","14.6675","0.0017","18.238","0.002","84.8197","0.0017","77.1803","0.0017","89.5273","0.0017","3560.5","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 N3 Si Zr -","- C39 H55 N3 Si Zr -","- C156 H220 N12 Si4 Zr4 -","4","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0793","0.0652","","","0.1796","0.1928","","","","","","1.134","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132653","42.519","0.003","9.1392","0.0007","31.749","0.002","90","","127.762","0.0009","90","","9753.4","1.2","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N2 Si Ti -","- C22 H42 N2 Si Ti -","- C352 H672 N32 Si16 Ti16 -","16","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0812","0.0593","","","0.1531","0.1688","","","","","","1.034","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132654","10.297","0.004","15.025","0.005","19.462","0.007","90","","101.74","0.005","90","","2948","1.8","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H51 N3 Si Ti -","- C27 H51 N3 Si Ti -","- C108 H204 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0683","0.0635","","","0.1741","0.1811","","","","","","1.128","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132655","16.28","0.002","10.6344","0.0014","18.997","0.003","90","","108.879","0.002","90","","3112","0.7","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 N3 Si Ti -","- C31 H51 N3 Si Ti -","- C124 H204 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0681","0.044","","","0.1152","0.1297","","","","","","1.017","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132656","16.882","0.003","11.9432","0.0019","30.22","0.005","90","","90","","90","","6093.1","1.8","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 Hf N3 Si -","- C27 H51 Hf N3 Si -","- C216 H408 Hf8 N24 Si8 -","8","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0322","0.0238","","","0.0543","0.0592","","","","","","1.104","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132657","8.9983","0.0011","9.3045","0.0015","9.3473","0.001","110.886","0.012","93.34","0.01","100.809","0.012","711.5","0.18","245","6","245","6","","","","","","","","6","P 1","P 1","1","","","","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","1","1","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","0.71073","MoKα","","0.0709","0.0479","","","0.088","0.1008","","","","","","1.03","","","","has coordinates","242593","2020-10-21","18:00:00",""
"4132658","11.494","0.0002","11.7725","0.0002","12.7954","0.0003","78.086","0.001","76.309","0.001","77.663","0.001","1621.03","0.06","150","2","149.99","","","","","","","","","4","P 1","P 1","1","","","","- C32 H36 N2 O10 -","- C32 H36 N2 O10 -","- C64 H72 N4 O20 -","2","2","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","1.54178","CuKα","","0.0516","0.0468","","","0.1136","0.1196","","","","","","1.089","","","","has coordinates","242594","2020-10-21","18:00:00",""
"4132659","10.258","0.004","10.444","0.004","13.218","0.006","84.484","0.014","81.981","0.018","81.287","0.013","1382","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B Fe N3 O4 -","- C29 H34 B Fe N3 O4 -","- C58 H68 B2 Fe2 N6 O8 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0529","0.0367","","","0.0769","0.083","","","","","","1.039","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132660","17.203","0.007","10.435","0.004","17.352","0.006","90","","110.324","0.019","90","","2921","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B Cr N3 O5 -","- C30 H34 B Cr N3 O5 -","- C120 H136 B4 Cr4 N12 O20 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0914","0.0478","","","0.0848","0.0993","","","","","","1.026","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132661","19.2348","0.0013","11.0028","0.0007","29.4015","0.0015","90","","90","","90","","6222.4","0.7","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C63 H76 B Cu F3 Fe N5 O7 S -","- C63 H76 B Cu F3 Fe N5 O7 S -","- C252 H304 B4 Cu4 F12 Fe4 N20 O28 S4 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0661","0.0504","","","0.1068","0.1115","","","","","","1.061","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132662","17.23","0.005","10.613","0.003","17.382","0.005","90","","110.349","0.01","90","","2980.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B N3 O5 W -","- C30 H34 B N3 O5 W -","- C120 H136 B4 N12 O20 W4 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0482","0.0265","","","0.0422","0.0469","","","","","","1.024","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132663","10.426","0.004","10.476","0.004","13.17","0.004","82.804","0.012","84.581","0.012","81.381","0.016","1406.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B N3 O4 Ru -","- C29 H34 B N3 O4 Ru -","- C58 H68 B2 N6 O8 Ru2 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0252","0.0223","","","0.0574","0.0592","","","","","","1.107","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132664","19.425","0.006","21.843","0.008","25.309","0.008","90","","90","","90","","10739","6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H68 B2 Br4 N6 -","- C50 H68 B2 Br4 N6 -","- C400 H544 B16 Br32 N48 -","8","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0582","0.033","","","0.0724","0.0834","","","","","","1.017","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132665","12.069","0.006","15.099","0.007","16.022","0.007","74.434","0.015","73.19","0.02","83.7","0.02","2691","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H43 B2 F15 N3 O4 Ru -","- C56 H43 B2 F15 N3 O4 Ru -","- C112 H86 B4 F30 N6 O8 Ru2 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0376","0.0277","","","0.0628","0.0679","","","","","","1.093","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132666","17.02","0.007","12.696","0.005","11.809","0.005","90","","90.977","0.017","90","","2551.4","1.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H41 B Br2 N2 -","- C24 H41 B Br2 N2 -","- C96 H164 B4 Br8 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0683","0.06","","","0.1558","0.1599","","","","","","1.113","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132667","29.725","0.003","8.1656","0.0008","18.9301","0.0018","90","","90","","90","","4594.8","0.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16.67 H22.67 B0.67 N2 -","- C16.6667 H22.6667 B0.666667 N2 -","- C200 H272 B8 N24 -","12","1.5","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0579","0.046","","","0.1105","0.1178","","","","","","1.072","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132668","8.5109","0.0007","17.7724","0.0014","14.743","0.0012","90","","98.972","0.002","90","","2202.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 B N2 -","- C24 H41 B N2 -","- C96 H164 B4 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0523","0.042","","","0.1039","0.1126","","","","","","1.037","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132669","9.4346","0.0004","24.9229","0.0007","14.8706","0.0006","90","","99.894","0.003","90","","3444.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 B Cl2 N2 Si2 -","- C26 H49 B Cl2 N2 Si2 -","- C104 H196 B4 Cl8 N8 Si8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0576","0.0403","","","0.0946","0.1028","","","","","","1.028","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132670","9.18","0.008","9.199","0.007","20.177","0.016","98.295","0.019","92.95","0.03","117.259","0.018","1485","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H49 B Cl N2 Si2 -","- C26 H49 B Cl N2 Si2 -","- C52 H98 B2 Cl2 N4 Si4 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.04","0.0325","","","0.079","0.0835","","","","","","1.07","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132671","10.3571","0.0005","11.0882","0.0004","14.0186","0.0007","92.908","0.003","101.465","0.004","90.026","0.003","1575.67","0.13","98","2","98","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H23 N -","- C20 H23 N -","- C80 H92 N4 -","4","2","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0848","0.0842","","","0.1516","0.1519","","","","","","1.055","","","","has coordinates","242598","2020-10-21","18:00:00",""
"4132672","12.9391","0.0004","8.796","0.0002","13.4951","0.0004","90","","104.676","0.003","90","","1485.8","0.07","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0748","0.0743","","","0.1447","0.145","","","","","","1.044","","","","has coordinates","242599","2020-10-21","18:00:00",""
"4132673","3.9327","0.0002","20.3504","0.0008","12.8881","0.0005","90","","95.764","0.004","90","","1026.25","0.08","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0871","0.0854","","","0.1478","0.1486","","","","","","1.171","","","","has coordinates","242600","2020-10-21","18:00:00",""
"4132674","7.82299","0.00016","17.3405","0.0004","13.9697","0.0003","90","","96.824","0.002","90","","1881.63","0.07","160","1","160","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Ravat, Prince; Šolomek, Tomáš; Häussinger, Daniel; Blacque, Olivier; Juríček, Michal","Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch.","Journal of the American Chemical Society","2018","140","34","10839","10847","10.1021/jacs.8b05465","","x-ray","0.71073","MoKα","","0.0621","0.0524","","","0.1461","0.153","","","","","","1.037","","","","has coordinates","242601","2020-10-21","18:00:00",""
"4132675","9.2601","0.0011","14.986","0.0011","14.9657","0.0014","90","","107.491","0.004","90","","1980.8","0.3","123","","123","","","","","","","","P. Ravat","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","0.5","","Ravat, Prince; Šolomek, Tomáš; Häussinger, Daniel; Blacque, Olivier; Juríček, Michal","Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch.","Journal of the American Chemical Society","2018","140","34","10839","10847","10.1021/jacs.8b05465","","","1.54178","CuKα","","0.0357","0.0354","","0.083","0.0826","0.083","","","","","","0.9553","","","","has coordinates","242602","2020-10-21","18:00:00",""
"4132676","23.143","0.008","15.393","0.005","12.944","0.005","90","","90","","90","","4611","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","MeMeCH2x2DEF","","","- C50 H62 N2 O10 -","- C49.996 H64 N2 O9.996 -","- C199.984 H256 N8 O39.984 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0865","0.0674","","","0.214","0.237","","","","","","0.925","","","","has coordinates","242603","2020-10-21","18:00:00",""
"4132677","15.482","0.003","16.274","0.003","15.976","0.003","90","","90","","90","","4025.2","1.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","MeMeCH2x2DMF","","","- C46 H54 N2 O10 -","- C46 H54 N2 O10 -","- C184 H216 N8 O40 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0559","0.0506","","","0.1145","0.1161","","","","","","1.238","","","","has coordinates","242604","2020-10-21","18:00:00",""
"4132678","28.6715","0.0014","28.6715","0.0014","28.6715","0.0014","90","","90","","90","","23570","2","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MeMeCH2@rhoZnIm2-xDMF","xMeMeCH2@rhoZn16Im32-xDMF","","- C208 H304 N88 O32 Zn16 -","- C136 H140 N64 O8 Zn16 -","- C408 H420 N192 O24 Zn48 -","3","0.0625","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","","0.71073","MoKα","","0.1851","0.1227","","","0.4312","0.5047","","","","","","2.075","","","","has coordinates,has disorder","242605","2020-10-21","18:00:00",""
"4132679","7.4475","0.001","11.6494","0.0015","26.153","0.003","90","","90.314","0.007","90","","2269","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 N -","- C28 H41 N -","- C112 H164 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","","0.71073","MoKα","","0.0462","0.0401","","","0.1079","0.1135","","","","","","1.046","","","","has coordinates","242606","2020-10-21","18:00:00",""
"4132680","9.0915","0.001","19.517","0.0019","14.058","0.003","90","","103.301","0.007","90","","2427.5","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl N Pd -","- C26 H42 Cl N Pd -","- C104 H168 Cl4 N4 Pd4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0369","0.0269","","","0.0595","0.0637","","","","","","1.025","","","","has coordinates,has disorder","242607","2020-10-21","18:00:00",""
"4132681","11.9071","0.0006","13.5787","0.0006","15.2077","0.0007","90","","90.716","0.002","90","","2458.6","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 Cl N Pd -","- C25 H40 Cl N Pd -","- C100 H160 Cl4 N4 Pd4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","1.54178","CuKα","","0.0335","0.0284","","","0.0718","0.0757","","","","","","1.058","","","","has coordinates,has disorder","242608","2020-10-21","18:00:00",""
"4132682","10.6312","0.0009","13.2056","0.001","17.7225","0.0015","90","","90","","90","","2488.1","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Au Cl N -","- C28 H41 Au Cl N -","- C112 H164 Au4 Cl4 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0201","0.019","","","0.0406","0.041","","","","","","0.77","","","","has coordinates","242609","2020-10-21","18:00:00",""
"4132683","9.9542","0.0003","15.6195","0.0004","17.9011","0.0006","90","","103.015","0.002","90","","2711.76","0.14","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl N O2 Rh -","- C30 H41 Cl N O2 Rh -","- C120 H164 Cl4 N4 O8 Rh4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","","0.71073","MoKα","","0.0586","0.0438","","","0.1039","0.1115","","","","","","1.054","","","","has coordinates","242610","2020-10-21","18:00:00",""
"4132684","11.7666","0.0004","21.1781","0.0006","16.7826","0.0005","90","","93.451","0.001","90","","4174.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Cl6 F3 N P2 Pt Sb -","- C40 H33 Cl6 F3 N P2 Pt Sb -","- C160 H132 Cl24 F12 N4 P8 Pt4 Sb4 -","4","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0381","0.025","","","0.0403","0.0428","","","","","","1.037","","","","has coordinates","288474","2023-12-21","14:34:49",""
"4132685","9.675","0.005","13.608","0.007","17.248","0.009","69.737","0.005","77.03","0.005","80.654","0.005","2067","1.9","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H41 Cl2 F3 N P2 Pt Sb -","- C44 H41 Cl2 F3 N P2 Pt Sb -","- C88 H82 Cl4 F6 N2 P4 Pt2 Sb2 -","2","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0484","0.036","","","0.0797","0.0857","","","","","","1.011","","","","has coordinates","288474","2023-12-21","14:34:54",""
"4132686","12.914","0.005","13.432","0.005","13.461","0.005","77.264","0.004","67.504","0.004","82.244","0.004","2100.9","1.4","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C79.01 H62 F9.03 N2 O11.03 P4 Pt2 S3.01 Sb2 -","- C79.008 H63 F9.024 N2 O11.024 P4 Pt2 S3.008 Sb2 -","- C79.008 H63 F9.024 N2 O11.024 P4 Pt2 S3.008 Sb2 -","1","0.5","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0414","0.0354","","","0.0797","0.0822","","","","","","1.098","","","","has coordinates,has disorder","288474","2023-12-21","14:35:06",""
"4132687","9.07","0.003","18.827","0.007","19.304","0.007","70.644","0.004","78.561","0.004","78.51","0.005","3016.4","1.9","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H41 B F18 N O P2 Pt Sb -","- C60 H41 B F18 N O P2 Pt Sb -","- C120 H82 B2 F36 N2 O2 P4 Pt2 Sb2 -","2","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.1106","0.0662","","","0.1743","0.2009","","","","","","1.015","","","","has coordinates","288475","2023-12-21","14:46:55",""
"4132688","8.936","0.002","19.412","0.005","20.369","0.005","115.125","0.003","102.188","0.003","92.038","0.003","3095.5","1.3","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","1","0.5","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0458","0.0359","","","0.0866","0.0913","","","","","","1.043","","","","has coordinates,has disorder","242611","2020-10-21","18:00:00",""
"4132689","9.2522","0.0008","10.3247","0.0009","19.5321","0.0016","90","","90","","90","","1865.8","0.3","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Deng, Lin; Chen, Mengqing; Dong, Guangbin","Concise Synthesis of (-)-Cycloclavine and (-)-5- epi-Cycloclavine via Asymmetric C-C Activation.","Journal of the American Chemical Society","2018","140","30","9652","9658","10.1021/jacs.8b05549","","","0.71073","MoKα","","0.0689","0.0485","","","0.1097","0.1175","","","","","","1.041","","","","has coordinates","242612","2020-10-21","18:00:00",""
"4132690","29.948","0.006","29.987","0.006","29.283","0.006","90","","101.13","0.03","90","","25803","9","100","0.1","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88 H56 Cl4 F12 N16 O13 Re4 S4 -","- C88 H56 Cl4 F12 N16 O13 Re4 S4 -","- C704 H448 Cl32 F96 N128 O104 Re32 S32 -","8","1","","Haviv, Eynat; Azaiza-Dabbah, Dima; Carmieli, Raanan; Avram, Liat; Martin, Jan M. L.; Neumann, Ronny","A Thiourea Tether in the Second Coordination Sphere as a Binding Site for CO<sub>2</sub> and a Proton Donor Promotes the Electrochemical Reduction of CO<sub>2</sub> to CO Catalyzed by a Rhenium Bipyridine-Type Complex.","Journal of the American Chemical Society","2018","140","39","12451","12456","10.1021/jacs.8b05658","","","0.71073","MoKα","","0.0423","0.0341","","","0.0888","0.0919","","","","","","1.083","","","","has coordinates","242613","2020-10-21","18:00:00",""
"4132691","12.941","0.0003","13.1806","0.0003","18.8817","0.0004","90","","90","","90","","3220.65","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 O7 -","- C36 H42 O7 -","- C144 H168 O28 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0427","0.0391","","","0.0943","0.0971","","","","","","1.165","","","","has coordinates,has disorder","242614","2020-10-21","18:00:00",""
"4132692","8.1073","0.0003","12.6392","0.0005","13.2065","0.0006","74.9956","0.0016","81.3175","0.0016","71.4936","0.0014","1236.03","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 N O7 S -","- C26 H29 N O7 S -","- C52 H58 N2 O14 S2 -","2","2","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0479","0.0376","","","0.0824","0.0874","","","","","","1.038","","","","has coordinates,has disorder","242615","2020-10-21","18:00:00",""
"4132693","11.5175","0.0006","12.9029","0.0007","12.3215","0.0006","90","","112.935","0.0017","90","","1686.34","0.15","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl2 F3 N O9 Pd S -","- C31 H32 Cl2 F3 N O9 Pd S -","- C62 H64 Cl4 F6 N2 O18 Pd2 S2 -","2","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0262","0.024","","","0.0498","0.0508","","","","","","1.091","","","","has coordinates","242616","2020-10-21","18:00:00",""
"4132694","7.2794","0.0002","7.976","0.0002","28.9295","0.0008","90","","90","","90","","1679.66","0.08","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0316","0.0293","","","0.0695","0.0709","","","","","","1.071","","","","has coordinates","242617","2020-10-21","18:00:00",""
"4132695","9.2426","0.0013","11.0042","0.0015","22.027","0.003","90","","90.723","0.009","90","","2240.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.113","0.0576","","","0.1397","0.1721","","","","","","1.012","","","","has coordinates","242618","2020-10-21","18:00:00",""
"4132696","11.1132","0.0005","16.9436","0.0008","12.0212","0.0006","90","","104.743","0.002","90","","2189.04","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.0736","0.0596","","","0.145","0.1549","","","","","","1.036","","","","has coordinates","242619","2020-10-21","18:00:00",""
"4132697","18.8921","0.0014","14.4381","0.0007","14.529","0.0011","90","","97.589","0.002","90","","3928.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 F3 -","- C24 H23 F3 -","- C192 H184 F24 -","8","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.1338","0.058","","","0.1237","0.1502","","","","","","1.019","","","","has coordinates,has disorder","242620","2020-10-21","18:00:00",""
"4132698","18.1594","0.0013","7.9412","0.0004","47.787","0.004","90","","90.245","0.006","90","","6891.2","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 Cl6 Co3 F18 N18 O6 -","- C48 H64 Cl6 Co3 F18 N18 O6 -","- C192 H256 Cl24 Co12 F72 N72 O24 -","4","0.5","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","1.54184","CuKα","","0.1163","0.071","","","0.1717","0.2056","","","","","","1.123","","","","has coordinates","242621","2020-10-21","18:00:00",""
"4132699","16.7381","0.0017","13.3744","0.0013","14.2241","0.0014","90","","94.3","0.003","90","","3175.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Co F9 N8 O4 -","- C26 H38 Co F9 N8 O4 -","- C104 H152 Co4 F36 N32 O16 -","4","1","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","0.71073","MoKα","","0.063","0.0491","","","0.1109","0.1174","","","","","","1.122","","","","has coordinates","242622","2020-10-21","18:00:00",""
"4132700","7.5582","0.0002","14.1096","0.0005","9.6456","0.0003","90","","107.998","0.003","90","","978.3","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 I N O3 S -","- C19 H20 I N O3 S -","- C38 H40 I2 N2 O6 S2 -","2","1","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","","1.54178","CuKα","","0.0393","0.039","","","0.1022","0.1028","","","","","","1.038","","","","has coordinates","242624","2020-10-21","18:00:00",""
"4132701","9.6006","0.0005","20.3822","0.001","24.3422","0.0013","90","","99.723","0.005","90","","4694.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F3 I O5 S -","- C22 H24 F3 I O5 S -","- C176 H192 F24 I8 O40 S8 -","8","2","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","x-ray","0.71073","MoKα","","0.1328","0.0893","","","0.2442","0.242","","","","","","1.007","","","","has coordinates,has disorder","242625","2020-10-21","18:00:00",""
"4132702","25.195","0.005","9.488","0.0019","19.143","0.004","90","","123.74","0.03","90","","3805.4","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H49 Na O8 Si2 -","- C40 H49 Na O8 Si2 -","- C160 H196 Na4 O32 Si8 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.7","synchrotron","","0.1112","0.0862","","","0.2409","0.2798","","","","","","1.046","","","","has coordinates,has disorder","242626","2020-10-21","18:00:00",""
"4132703","10.7627","0.0006","12.6174","0.0007","9.1065","0.0004","90","","101.936","0.002","90","","1209.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl F2 O -","- C15 H9 Cl F2 O -","- C60 H36 Cl4 F8 O4 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.71073","MoKα","","0.0466","0.0389","","","0.1101","0.116","","","","","","1.072","","","","has coordinates","242627","2020-10-21","18:00:00",""
"4132704","37.029","0.0006","11.0822","0.0003","12.0393","0.0002","90","","90","","90","","4940.48","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C212 H256 O48 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0707","0.0517","","","0.1207","0.1324","","","","","","1.018","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132705","12.5757","0.0002","18.6738","0.0002","41.8847","0.0006","90","","90","","90","","9836","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0713","0.0485","","","0.1139","0.1291","","","","","","1.05","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132706","12.5633","0.0002","18.6928","0.0003","41.9876","0.0007","90","","90","","90","","9860.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1154","0.0552","","","0.1135","0.1306","","","","","","1.002","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132707","15.9151","0.0009","9.0545","0.0005","22.8476","0.0013","90","","91.173","0.003","90","","3291.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H64 Cl2 Hg O20 S2 -","- C53 H64 Cl2 Hg O20 S2 -","- C106 H128 Cl4 Hg2 O40 S4 -","2","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0585","0.0502","","","0.1305","0.1351","","","","","","1.035","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132708","47.5683","0.0008","14.9566","0.0002","12.0028","0.0002","90","","94.586","0.001","90","","8512.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C159 H190 Hg4 I8 O36 S6 -","- C159 H190 Hg4 I8 O36 S6 -","- C318 H380 Hg8 I16 O72 S12 -","2","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1243","0.0757","","","0.1835","0.2155","","","","","","1.049","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132709","6.3698","0.0005","13.228","0.0012","34.571","0.002","90","","90","","90","","2912.9","0.4","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0806","0.057","","","0.0933","0.1045","","","","","","1.034","","","","has coordinates","242629","2020-10-21","18:00:00",""
"4132710","11.1414","0.0003","12.4672","0.0004","21.0621","0.0005","90","","90","","90","","2925.57","0.14","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.0862","0.093","","","","","","1.052","","","","has coordinates","242630","2020-10-21","18:00:00",""
"4132711","7.7029","0.0004","14.6019","0.0006","21.1006","0.0009","90","","90","","90","","2373.33","0.19","120","10","120","10","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.05","0.0398","","","0.0825","0.0896","","","","","","1.037","","","","has coordinates","242631","2020-10-21","18:00:00",""
"4132712","6.1268","0.0002","13.2115","0.0005","14.7663","0.0005","90","","101.86","0.004","90","","1169.73","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.04","0.0355","","","0.0867","0.0908","","","","","","1.048","","","","has coordinates","242632","2020-10-21","18:00:00",""
"4132713","7.9565","0.0011","15.697","0.002","24.285","0.003","90","","90","","90","","3033","0.7","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Me2fBPDC","","- C16 H6 F8 O4 -","- C16 H6 F8 O4 -","- C128 H48 F64 O32 -","8","1","","Ji, Pengfei; Drake, Tasha; Murakami, Akiko; Oliveres, Pau; Skone, Jonathan H.; Lin, Wenbin","Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies.","Journal of the American Chemical Society","2018","140","33","10553","10561","10.1021/jacs.8b05765","","","0.41328","synchrotron","","0.0436","0.0366","","","0.0943","0.1003","","","","","","1.049","","","","has coordinates","242633","2020-10-21","18:00:00",""
"4132714","21.4077","0.0011","21.9786","0.0011","22.0259","0.0012","115.221","0.001","116.928","0.001","90.438","0.001","8096.3","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H178 Cr12 N26 O68 -","- C210 H178 Cr12 N26 O68 -","- C210 H178 Cr12 N26 O68 -","1","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","0.71073","MoKα","","0.0959","0.0641","","","0.1856","0.2112","","","","","","1.057","","","","has coordinates","242635","2020-10-21","18:00:00",""
"4132715","40.52","0.002","40.52","0.002","40.52","0.002","90","","90","","90","","66529","6","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole PCN-81","- C17 H8 Cu N O4 -","- C17 H8 Cu N O4 -","- C816 H384 Cu48 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","","","","","","","","","","","","","","","","","","","has coordinates","287155","2023-10-27","23:54:11",""
"4132716","40.53","0.004","40.53","0.004","40.53","0.004","90","","90","","90","","66578","11","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 3.71(3) CD4","- C20.25 H8 Cu D13 N O4 -","- C20.2483 H8 Cu D12.9963 N O4 -","- C971.92 H384 Cu48 D623.824 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","2.8022","","","","","","","has coordinates","242637","2020-10-21","18:00:00",""
"4132717","23.345","0.002","27.435","0.003","23.959","0.002","90","","99","0.003","90","","15156","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C204 H176 Cu12 N24 O66 -","- C204 H176 Cu12 N24 O66 -","- C408 H352 Cu24 N48 O132 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","0.71073","MoKα","","0.1002","0.0624","","","0.1744","0.1963","","","","","","1.021","","","","has coordinates","242638","2020-10-21","18:00:00",""
"4132718","24.1875","0.0005","28.6009","0.0007","24.5462","0.0005","90","","97.121","0.001","90","","16849.7","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H84 Mo12 N12 O68 -","- C168 H84 Mo12 N12 O68 -","- C336 H168 Mo24 N24 O136 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","1.54178","CuKα","","0.1334","0.0863","","","0.2286","0.2929","","","","","","1.038","","","","has coordinates","242639","2020-10-21","18:00:00",""
"4132719","40.519","0.002","40.519","0.002","40.519","0.002","90","","90","","90","","66524","6","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 1.95(15) CD4","- C18.89 H8 Cu D7.56 N O4 -","- C18.8915 H8 Cu D7.5585 N O4 -","- C906.792 H384 Cu48 D362.808 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","1.3026","","","","","","","has coordinates","242640","2020-10-21","18:00:00",""
"4132720","7.6488","0.0001","14.2419","0.0001","28.2187","0.0002","90","","90","","90","","3073.96","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","2","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","","1.54184","CuKα","","0.0305","0.0296","","","0.0754","0.076","","","","","","1.076","","","","has coordinates","242641","2020-10-21","18:00:00",""
"4132721","8.3269","0.0001","7.6893","0.0001","13.8728","0.0001","90","","100.63","0.001","90","","873.005","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0895","0.0897","","","","","","1.081","","","","has coordinates","242642","2020-10-21","18:00:00",""
"4132722","8.10217","0.00006","12.10152","0.0001","17.38923","0.00014","90","","90","","90","","1704.99","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.023","0.0227","","","0.0568","0.057","","","","","","1.04","","","","has coordinates","242643","2020-10-21","18:00:00",""
"4132723","9.9574","0.0007","8.8817","0.0007","10.7882","0.0009","90","","90.883","0.007","90","","953.98","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N O3 -","- C25 H22 F N O3 -","- C50 H44 F2 N2 O6 -","2","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","0.71073","MoKα","","0.0351","0.0331","","","0.0848","0.0859","","","","","","1.045","","","","has coordinates","242644","2020-10-21","18:00:00",""
"4132724","6.05736","0.00004","8.48378","0.00006","34.6061","0.0003","90","","90","","90","","1778.38","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 F N O6 -","- C17 H24 F N O6 -","- C68 H96 F4 N4 O24 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0221","0.022","","","0.0535","0.0535","","","","","","1.067","","","","has coordinates","242645","2020-10-21","18:00:00",""
"4132725","8.61245","0.00005","10.21862","0.00006","18.99958","0.00012","90","","90","","90","","1672.1","0.017","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0237","0.0237","","","0.0573","0.0573","","","","","","1.059","","","","has coordinates","242646","2020-10-21","18:00:00",""
"4132726","8.2353","0.0003","13.2333","0.0005","15.1468","0.0005","90","","90","","90","","1650.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0294","0.0291","","","0.0977","0.0983","","","","","","0.945","","","","has coordinates","242647","2020-10-21","18:00:00",""
"4132727","9.3299","0.0004","11.8388","0.0005","20.3171","0.0009","90","","90","","90","","2244.12","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","1","0.25","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0353","0.0351","","","0.1082","0.1086","","","","","","0.867","","","","has coordinates","242648","2020-10-21","18:00:00",""
"4132728","11.48","0.0007","12.905","0.0008","28.8426","0.0017","90","","90","","90","","4273","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N O0.5 -","- C26 H23 Cl N O0.5 -","- C208 H184 Cl8 N8 O4 -","8","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54175","CuKα","","0.0393","0.039","","","0.1223","0.1229","","","","","","1.117","","","","has coordinates","242649","2020-10-21","18:00:00",""
"4132729","12.7654","0.0011","15.5021","0.0014","15.5871","0.0012","69.715","0.003","81.105","0.003","80.949","0.003","2840.5","0.4","273","2","273","2","","","","","","","","8","P 1","P 1","1","","","","- C65 H49 F0 N O0.5 P2 Pd S0 -","- C65 H49 N O0.5 P2 Pd -","- C130 H98 N2 O P4 Pd2 -","2","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","0.56086","AgKα","","0.0499","0.0396","","","0.1069","0.1149","","","","","","0.811","","","","has coordinates","242650","2020-10-21","18:00:00",""
"4132730","8.773","0.003","11.504","0.003","16.681","0.005","93.575","0.01","98.963","0.009","103.528","0.01","1608.2","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Mo O2 P2 -","- C37 H46 Mo O2 P2 -","- C74 H92 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.1364","0.0719","","","0.1592","0.1853","","","","","","1.044","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132731","23.5019","0.0011","9.3504","0.0005","20.5286","0.0009","90","","90","","90","","4511.2","0.4","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H40 B F15 Mo N2 P2 -","- C48 H40 B F15 Mo N2 P2 -","- C192 H160 B4 F60 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.057","0.0371","","","0.0668","0.0726","","","","","","1.008","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132732","9.4051","0.0004","11.3058","0.0005","22.0674","0.001","103.065","0.002","94.669","0.002","96.976","0.002","2254.39","0.17","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40 B F15 Mo O2 P2 -","- C49 H40 B F15 Mo O2 P2 -","- C98 H80 B2 F30 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0334","0.0268","","","0.0647","0.0678","","","","","","0.988","","","","has coordinates","242651","2020-10-21","18:00:00",""
"4132733","13.0216","0.0007","16.2787","0.0008","18.3832","0.0009","111.964","0.002","100.228","0.003","92.383","0.003","3531.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H64 B F24 Mo O P2 -","- C75 H64 B F24 Mo O P2 -","- C150 H128 B2 F48 Mo2 O2 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0473","0.043","","","0.0977","0.0996","","","","","","1.242","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132734","13.0558","0.0008","16.4548","0.001","16.505","0.001","65.959","0.002","81.517","0.002","78.563","0.002","3165.1","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","1","0.5","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0924","0.0557","","","0.1344","0.154","","","","","","1.03","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132735","9.9036","0.0002","9.5634","0.0002","15.2192","0.0004","90","","93.961","0.002","90","","1438","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","0.71073","MoKα","","0.0628","0.0444","","","0.1001","0.1117","","","","","","1.034","","","","has coordinates","242652","2020-10-21","18:00:00",""
"4132736","5.53828","0.00006","24.4737","0.0004","8.98955","0.00014","90","","91.211","0.0012","90","","1218.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","2","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0971","0.101","","","","","","1.034","","","","has coordinates","242653","2020-10-21","18:00:00",""
"4132737","18.5044","0.0008","18.5044","0.0008","18.5044","0.0008","90","","90","","90","","6336.1","0.5","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C17 H36 Cl9 N Si3 -","- C16.9998 H35.9991 Cl9 N Si3 -","- C135.998 H287.993 Cl72 N8 Si24 -","8","0.333333","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0517","0.0399","","","0.0844","0.0884","","","","","","0.975","","","","has coordinates","265218","2021-05-14","09:41:20",""
"4132738","11.4327","0.0006","11.8063","0.0006","19.5139","0.0009","85.921","0.004","85.777","0.004","88.686","0.004","2619.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 Cl12 N2 Si4 -","- C34 H72 Cl12 N2 Si4 -","- C68 H144 Cl24 N4 Si8 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.073","0.0585","","","0.1414","0.1476","","","","","","1.117","","","","has coordinates,has disorder","265218","2021-05-14","09:41:20",""
"4132739","16.5007","0.0011","12.171","0.0007","18.2951","0.0012","90","","90","","90","","3674.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 Cl12 Si4 -","- C2 Cl12 Si4 -","- C16 Cl96 Si32 -","8","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.043","0.0353","","","0.0889","0.093","","","","","","1.017","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132740","9.1268","0.0008","9.5234","0.0009","10.1718","0.0009","77.516","0.007","87.755","0.007","62.147","0.007","761.25","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Cl6 Si2 -","- C8 H8 Cl6 Si2 -","- C16 H16 Cl12 Si4 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0374","0.0276","","","0.0651","0.0681","","","","","","1.032","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132741","11.5499","0.0006","12.4908","0.0007","12.5898","0.0007","65.826","0.004","79.473","0.004","65.638","0.004","1509.27","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Cl6 Si2 -","- C30 H20 Cl6 Si2 -","- C60 H40 Cl12 Si4 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0486","0.035","","","0.0806","0.0852","","","","","","1.018","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132742","12.871","0.0006","27.8262","0.0013","13.7151","0.0006","90","","108.04","0.002","90","","4670.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 F12 N4 O6 P3 Ru S -","- C43 H45 F12 N4 O6 P3 Ru S -","- C172 H180 F48 N16 O24 P12 Ru4 S4 -","4","1","","Kosgei, Gilbert K.; Breen, Douglas J.; Lamb, Robert W.; Livshits, Maksim Y.; Crandall, Laura A.; Ziegler, Christopher J.; Webster, Charles Edwin; Rack, Jeffrey J.","Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes.","Journal of the American Chemical Society","2018","140","31","9819","9822","10.1021/jacs.8b05957","","","0.71073","MoKα","","0.0897","0.0766","","","0.1938","0.1989","","","","","","1.192","","","","has coordinates,has disorder","242655","2020-10-21","18:00:00",""
"4132743","26.5441","0.0018","26.5441","0.0018","22.7499","0.0017","90","","90","","90","","16029.3","1.9","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C62 H68 I O5 P -","- C62 H68 I O5 P -","- C496 H544 I8 O40 P8 -","8","1","","Ye, Baihua; Zhao, Jie; Zhao, Ke; McKenna, Jeffrey M.; Toste, F. Dean","Chiral Diaryliodonium Phosphate Enables Light Driven Diastereoselective α-C(sp<sup>3</sup>)-H Acetalization.","Journal of the American Chemical Society","2018","140","26","8350","8356","10.1021/jacs.8b05962","","x-ray","0.71073","MoKα","","0.1048","0.0935","","","0.2621","0.277","","","","","","1.127","","","","has coordinates","242656","2020-10-21","18:00:00",""
"4132744","7.63","0.001","11.4442","0.0015","12.1777","0.0016","66.08","0.002","82.174","0.003","78.089","0.003","949.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Fe2 N O6 S2 -","- C16 H13 Fe2 N O6 S2 -","- C32 H26 Fe4 N2 O12 S4 -","2","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0325","0.0269","","","0.0652","0.0679","","","","","","1.065","","","","has coordinates","242657","2020-10-21","18:00:00",""
"4132745","12.0292","0.0008","11.9367","0.0007","16.3521","0.001","90","","111.147","0.002","90","","2189.9","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe2 N O8 S2 -","- C18 H15 Fe2 N O8 S2 -","- C72 H60 Fe8 N4 O32 S8 -","4","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0753","0.0507","","","0.1138","0.1308","","","","","","0.986","","","","has coordinates","242658","2020-10-21","18:00:00",""
"4132746","7.5764","0.0016","10.35","0.002","12.755","0.003","93.763","0.005","104.601","0.005","107.684","0.005","911.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Fe2 N O6 S2 -","- C15 H11 Fe2 N O6 S2 -","- C30 H22 Fe4 N2 O12 S4 -","2","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0515","0.0331","","","0.0877","0.0975","","","","","","0.998","","","","has coordinates","242659","2020-10-21","18:00:00",""
"4132747","39.341","0.003","39.341","0.003","16.4692","0.0016","90","","90","","120","","22075","3","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C108 H52 F24 O32 Zr6 -","- C108 H52 F24 O32 Zr6 -","- C324 H156 F72 O96 Zr18 -","3","0.125","","Liu, Jian; Ye, Jingyun; Li, Zhanyong; Otake, Ken-Ichi; Liao, Yijun; Peters, Aaron W.; Noh, Hyunho; Truhlar, Donald G.; Gagliardi, Laura; Cramer, Christopher J.; Farha, Omar K.; Hupp, Joseph T.","Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization.","Journal of the American Chemical Society","2018","140","36","11174","11178","10.1021/jacs.8b06006","","","0.71073","MoKα","","0.1141","0.0689","","","0.2018","0.225","","","","","","0.946","","","","has coordinates","242660","2020-10-21","18:00:00",""
"4132748","8.8222","0.0002","22.4497","0.0005","12.2995","0.0003","90","","90.664","0.002","90","","2435.82","0.1","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 I N O3 -","- C25 H30 I N O3 -","- C100 H120 I4 N4 O12 -","4","2","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1203","0.1209","","","","","","1.128","","","","has coordinates","242661","2020-10-21","18:00:00",""
"4132749","9.2512","0.0019","9.908","0.002","13.364","0.003","90","","93.83","0.03","90","","1222.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 Br N3 O3 -","- C26 H32 Br N3 O3 -","- C52 H64 Br2 N6 O6 -","2","1","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","","0.71073","MoKα","","0.0489","0.0284","","","0.0551","0.0582","","","","","","0.959","","","","has coordinates","242662","2020-10-21","18:00:00",""
"4132750","9.0037","0.0006","10.6349","0.0008","20.9238","0.0016","87.427","0.003","80.838","0.004","83.926","0.003","1966.1","0.2","25","2","25","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.1129","0.0623","","","0.1025","0.1234","","","","","","1.109","","","","has coordinates","242663","2020-10-21","18:00:00",""
"4132751","9.1236","0.0013","10.3986","0.0017","21.917","0.003","82.664","0.006","79.143","0.008","81.735","0.007","2010","0.5","25","2","25","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.1816","0.0851","","","0.157","0.1965","","","","","","1.084","","","","has coordinates","242663","2020-10-21","18:00:00",""
"4132752","9.2022","0.0007","10.1887","0.0007","21.8917","0.0018","91.39","0.006","101.321","0.007","98.577","0.006","1987.1","0.3","90","2","90","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","x-ray","0.7121","","","0.0651","0.0368","","","0.0862","0.0991","","","","","","1.002","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132753","9.2011","0.0007","10.1991","0.0009","21.9496","0.0008","91.624","0.005","101.414","0.005","98.816","0.007","1991.6","0.2","10","2","10","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.0697","0.054","","","0.1171","0.1304","","","","","","0.985","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132754","9.2642","0.0004","10.2705","0.0005","22.0624","0.0011","91.906","0.004","101.684","0.004","98.679","0.004","2027.74","0.17","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71069","MoKα","","0.0785","0.0546","","","0.1329","0.1516","","","","","","1.037","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132755","9.2763","0.0006","10.2063","0.0005","22.0345","0.0013","91.425","0.005","101.334","0.005","98.996","0.005","2017","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.2072","0.0949","","","0.2099","0.2651","","","","","","1.04","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132756","24.6998","0.006","8.2115","0.0023","7.0889","0.0017","90","","90.237","0.041","90","","1437.8","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(bdp)(CO2)0.37","","","- C12.74 H8 Co N4 O1.48 -","- C12.74 H8 Co N4 O1.48 -","- C50.96 H32 Co4 N16 O5.92 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Bachman, Jonathan E.; Siegelman, Rebecca L.; Jiang, Henry; Mason, Jarad A.; Tarver, Jacob D.; Long, Jeffrey R.","Near-Perfect CO<sub>2</sub>/CH<sub>4</sub> Selectivity Achieved through Reversible Guest Templating in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2018","140","32","10324","10331","10.1021/jacs.8b06062","powder diffraction","x-ray","0.45336","synchrotron","","","","","","","","","0.021","4.01","","","","","","","has coordinates","242664","2020-10-21","18:00:00",""
"4132757","21.3574","0.0004","13.0173","0.0002","23.82","0.0005","90","","93.95","0.007","90","","6606.6","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H96 N8 -","- C74 H96 N8 -","- C296 H384 N32 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.114","0.081","","","0.2102","0.2302","","","","","","1.015","","","","has coordinates,has disorder","242665","2020-10-21","18:00:00",""
"4132758","15.6996","0.0014","18.0988","0.0015","22.34","0.002","94.624","0.007","93.167","0.007","97.221","0.007","6263.2","1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H80 N8 -","- C74 H80 N8 -","- C296 H320 N32 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.1407","0.0765","","","0.1758","0.2115","","","","","","0.932","","","","has coordinates,has disorder","242666","2020-10-21","18:00:00",""
"4132759","18.9374","0.0003","19.0517","0.0004","20.3855","0.0004","90","","106.369","0.008","90","","7056.8","0.4","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C78 H88.34 F12 N8 O2.17 P2 -","- C78 H88.344 F12 N8 O2.172 P2 -","- C312 H353.376 F48 N32 O8.688 P8 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.0454","0.0399","","","0.0968","0.0993","","","","","","1.077","","","","has coordinates,has disorder","242667","2020-10-21","18:00:00",""
"4132760","12.4461","0.0004","15.3301","0.0005","11.6893","0.0003","90","","90","","90","","2230.32","0.12","100","","100","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H62 I N2 P2 U -","- C44 H62 I N2 P2 U -","- C88 H124 I2 N4 P4 U2 -","2","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.045","0.0299","","","0.0656","0.0707","","","","","","1.005","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132761","24.5125","0.0008","13.2349","0.0004","14.3958","0.0004","90","","115.555","0.002","90","","4213.4","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 N2 P2 U -","- C44 H62 Cl2 N2 P2 U -","- C176 H248 Cl8 N8 P8 U4 -","4","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.02","0.0182","","","0.0456","0.0467","","","","","","1.085","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132762","10.9802","0.0005","11.5895","0.0005","21.4568","0.0009","87.954","0.002","87.283","0.002","65.953","0.002","2490.31","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H62 N8 P2 U -","- C44 H62 N8 P2 U -","- C88 H124 N16 P4 U2 -","2","1","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.0337","0.0307","","","0.085","0.087","","","","","","1.109","","","","has coordinates,has disorder","242668","2020-10-21","18:00:00",""
"4132763","12.7487","0.0005","13.6035","0.0006","17.6124","0.0007","102.07","0.002","91.734","0.002","98.501","0.002","2948.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H93 K N3 O3 P2 U -","- C59 H93 K N3 O3 P2 U -","- C118 H186 K2 N6 O6 P4 U2 -","2","1","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.0297","0.0263","","","0.0658","0.0683","","","","","","1.091","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132764","9.4486","0.0003","14.759","0.0003","22.6127","0.0009","88.9","0.002","89.95","0.003","86.561","0.002","3147.12","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H47 B3 F2 K N3 O6 -","- C25 H47 B3 F2 K N3 O6 -","- C100 H188 B12 F8 K4 N12 O24 -","4","2","","Geri, Jacob B.; Wade Wolfe, Michael M.; Szymczak, Nathaniel K.","The Difluoromethyl Group as a Masked Nucleophile: A Lewis Acid/Base Approach.","Journal of the American Chemical Society","2018","140","30","9404","9408","10.1021/jacs.8b06093","","x-ray","1.54184","CuKα","","0.1165","0.1049","","","0.2898","0.3063","","","","","","1.041","","","","has coordinates,has disorder","242669","2020-10-21","18:00:00",""
"4132765","11.6737","0.0002","8.25353","0.0001","30.0031","0.0004","90","","93.5614","0.0014","90","","2885.19","0.07","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 F6 Fe N8 O7 S2 -","- C17 H35 F6 Fe N8 O7 S2 -","- C68 H140 F24 Fe4 N32 O28 S8 -","4","1","","Speelman, Amy L.; White, Corey J.; Zhang, Bo; Alp, E. Ercan; Zhao, Jiyong; Hu, Michael; Krebs, Carsten; Penner-Hahn, James; Lehnert, Nicolai","Non-heme High-Spin {FeNO}<sup>6-8</sup> Complexes: One Ligand Platform Can Do It All.","Journal of the American Chemical Society","2018","140","36","11341","11359","10.1021/jacs.8b06095","","","1.54184","CuKα","","0.0426","0.0401","","","0.105","0.1129","","","","","","1.071","","","","has coordinates","242670","2020-10-21","18:00:00",""
"4132766","9.1975","0.0005","10.2549","0.0006","10.7336","0.0006","86.647","0.002","87.81","0.002","65.188","0.002","917.26","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Co F3 N3 O3 S -","- C17 H15 Co F3 N3 O3 S -","- C34 H30 Co2 F6 N6 O6 S2 -","2","1","","McLoughlin, Elizabeth A.; Waldie, Kate M.; Ramakrishnan, Srinivasan; Waymouth, Robert M.","Protonation of a Cobalt Phenylazopyridine Complex at the Ligand Yields a Proton, Hydride, and Hydrogen Atom Transfer Reagent.","Journal of the American Chemical Society","2018","140","41","13233","13241","10.1021/jacs.8b06156","","x-ray","0.71073","MoKα","","0.0375","0.0303","","","0.0659","0.069","","","","","","1.108","","","","has coordinates","242671","2020-10-21","18:00:00",""
"4132767","18.4626","0.0007","19.0335","0.0008","19.1173","0.0008","90","","100.614","0.002","90","","6603","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H44 Cl5.5 D1.5 N7 O7 -","- C62.5 H41.5 Cl5.5 N7 O7 -","- C250 H166 Cl22 N28 O28 -","4","1","","Zhiquan, Lei; Xie, Han; Border, Sarah E.; Gallucci, Judith; Pavlović, Radoslav Z; Badjić, Jovica D","A Stimuli-Responsive Molecular Capsule with Switchable Dynamics, Chirality, and Encapsulation Characteristics.","Journal of the American Chemical Society","2018","140","35","11091","11100","10.1021/jacs.8b06190","","x-ray","0.71073","MoKα","","0.1111","0.1029","","","0.2881","0.2958","","","","","","1.095","","","","has coordinates","242672","2020-10-21","18:00:00",""
"4132768","17.222","0.0006","9.8655","0.0004","20.9582","0.0008","90","","90","","90","","3560.9","0.2","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H20 Br2 O3 -","- C20 H20 Br2 O3 -","- C160 H160 Br16 O24 -","8","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0376","0.0324","","","0.0784","0.0813","","","","","","1.051","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132769","9.9024","0.0004","17.7073","0.0008","8.9301","0.0003","90","","100.908","0.001","90","","1537.56","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O -","- C20 H24 O -","- C80 H96 O4 -","4","1","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0547","0.0449","","","0.1109","0.1174","","","","","","1.028","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132770","27.498","0.006","7.6508","0.0018","15.583","0.004","90","","90.715","0.006","90","","3278.1","1.3","183","2","183","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","4","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.1484","0.1179","","","0.3162","0.3419","","","","","","1.314","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132771","10.2423","0.0009","11.5267","0.0011","14.1776","0.0014","88.506","0.003","80.899","0.003","76.244","0.003","1605.2","0.3","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0498","0.0395","","","0.0993","0.1054","","","","","","1.031","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132772","10.7291","0.0007","10.9423","0.0007","21.1536","0.0014","90.135","0.001","104.209","0.001","93.207","0.001","2403.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Cl2)Si{P(cAAC)}2","dichlorosilabisphosphinidene","","- C47 H70 Cl2 N2 P2 Si -","- C47 H70 Cl2 N2 P2 Si -","- C94 H140 Cl4 N4 P4 Si2 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Siddiqui, Mujahuddin M.; Luebben, Anna V.; Dittrich, Birger; Yang, Tao; Frenking, Gernot; Roesky, Herbert W.","Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene.","Journal of the American Chemical Society","2018","140","30","9409","9412","10.1021/jacs.8b06230","","","0.71073","MoKα","","0.0333","0.0298","","","0.0754","0.0781","","","","","","1.032","","","","has coordinates","242674","2020-10-21","18:00:00",""
"4132773","13.3897","0.0006","16.8613","0.0007","28.705","0.0012","97.348","0.002","101.539","0.002","105.097","0.002","6018.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(cAAC)Si{P(cAAC)}2","bisphosphinidenesilylene","","- C126 H200 N6 P4 Si2 -","- C126 H200 N6 P4 Si2 -","- C252 H400 N12 P8 Si4 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Siddiqui, Mujahuddin M.; Luebben, Anna V.; Dittrich, Birger; Yang, Tao; Frenking, Gernot; Roesky, Herbert W.","Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene.","Journal of the American Chemical Society","2018","140","30","9409","9412","10.1021/jacs.8b06230","","","0.71073","MoKα","","0.0684","0.0463","","","0.1075","0.1195","","","","","","1.026","","","","has coordinates,has disorder","242675","2020-10-21","18:00:00",""
"4132774","16.3099","0.0005","15.3787","0.0004","14.4277","0.0004","90","","93.304","0.003","90","","3612.81","0.18","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H34 Mo2 N6 O10 -","- C32 H34 Mo2 N6 O10 -","- C128 H136 Mo8 N24 O40 -","4","1","","Claire, F. James; Tenney, Stephanie M.; Li, Minyuan M.; Siegler, Maxime A.; Wagner, Justine S.; Hall, Anthony Shoji; Kempa, Thomas J.","Hierarchically Ordered Two-Dimensional Coordination Polymers Assembled from Redox-Active Dimolybdenum Clusters.","Journal of the American Chemical Society","2018","140","34","10673","10676","10.1021/jacs.8b06331","","","0.71073","MoKα","","0.0652","0.0403","","","0.0854","0.0961","","","","","","1.033","","","","has coordinates,has disorder","242676","2020-10-21","18:00:00",""
"4132775","16.38752","0.00019","15.60553","0.00019","14.32079","0.00016","90","","91.8","0.001","90","","3660.53","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H77 Mo4 N13 O21 -","- C68 H77 Mo4 N13 O21 -","- C136 H154 Mo8 N26 O42 -","2","0.5","","Claire, F. James; Tenney, Stephanie M.; Li, Minyuan M.; Siegler, Maxime A.; Wagner, Justine S.; Hall, Anthony Shoji; Kempa, Thomas J.","Hierarchically Ordered Two-Dimensional Coordination Polymers Assembled from Redox-Active Dimolybdenum Clusters.","Journal of the American Chemical Society","2018","140","34","10673","10676","10.1021/jacs.8b06331","","","1.54178","CuKα","","0.0475","0.0281","","","0.0558","0.0633","","","","","","1.013","","","","has coordinates,has disorder","242677","2020-10-21","18:00:00",""
"4132776","8.1652","0.0004","19.9237","0.0008","11.5584","0.0005","90","","108.914","0.001","90","","1778.81","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 Pd -","- C18 H25 N3 Pd -","- C72 H100 N12 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.0421","0.0262","","","0.0518","0.0559","","","","","","1.029","","","","has coordinates","242678","2020-10-21","18:00:00",""
"4132777","9.9146","0.0006","18.0926","0.0012","10.9702","0.0008","90","","105.158","0.002","90","","1899.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 Pd -","- C21 H24 N4 Pd -","- C84 H96 N16 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","","0.71073","MoKα","","0.0422","0.0321","","","0.0796","0.0837","","","","","","1.075","","","","has coordinates","242679","2020-10-21","18:00:00",""
"4132778","10.2729","0.0008","17.4768","0.0012","7.5492","0.0007","90","","102.902","0.003","90","","1321.15","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 Pd -","- C14 H17 N3 Pd -","- C56 H68 N12 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.1566","0.0742","","","0.115","0.1412","","","","","","1.023","","","","has coordinates","242680","2020-10-21","18:00:00",""
"4132779","8.1493","0.0005","10.1574","0.0007","10.6196","0.0008","113.946","0.002","91.188","0.002","96.721","0.002","795.61","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 F3 N3 Pd -","- C15 H16 F3 N3 Pd -","- C30 H32 F6 N6 Pd2 -","2","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.0327","0.0254","","","0.0618","0.0652","","","","","","1.071","","","","has coordinates,has disorder","242681","2020-10-21","18:00:00",""
"4132780","12.2741","0.0005","19.4126","0.0008","15.5112","0.0006","90","","108.397","0.002","90","","3507","0.2","100","2","100.01","","","","","","","","","8","P 1 21 1","P 2yb","4","","Plate","","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C154 H124 F6 Fe6 Mn2 N24 O16 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0294","0.0256","","","0.0605","0.0617","","","","","","1.023","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132781","14.2908","0.0012","15.9691","0.0013","24.3709","0.0017","71.236","0.004","75.366","0.002","70.262","0.004","4891.6","0.7","100","2","99.99","","","","","","","","","10","P -1","-P 1","2","","","","- C105.06 H80.97 B Cl0.46 F3 Fe3 Mn N12 O10.47 S -","- C105.061 H80.972 B Cl0.456 F3 Fe3 Mn N12 O10.469 S -","- C210.122 H161.944 B2 Cl0.912 F6 Fe6 Mn2 N24 O20.938 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0892","0.0635","","","0.1716","0.1897","","","","","","1.031","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132782","44.125","0.002","14.3106","0.0007","24.8034","0.001","90","","90.402","0.003","90","","15661.9","1.2","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H53.5 F9 Fe3 Mn N13.38 O14.12 S3 -","- C76 H53.5 F9 Fe3 Mn N13.379 O14.121 S3 -","- C608 H428 F72 Fe24 Mn8 N107.032 O112.968 S24 -","8","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1219","0.084","","","0.2131","0.2471","","","","","","1.038","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132783","12.2685","0.0006","29.896","0.002","19.6152","0.0017","90","","92.393","0.005","90","","7188.2","0.9","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 F6 Fe3 Mn N12 O13 S2 -","- C72 H62 F6 Fe3 Mn N12 O13 S2 -","- C288 H248 F24 Fe12 Mn4 N48 O52 S8 -","4","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1424","0.1109","","","0.206","0.223","","","","","","1.14","","","","has coordinates","242682","2020-10-21","18:00:00",""
"4132784","14.7283","0.0007","19.3808","0.001","45.518","0.002","90","","92.474","0.003","90","","12980.8","1.1","100","2","100.04","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C67 H49 F3 Fe3 Mn N12 O8 S -","- C67 H49 F3 Fe3 Mn N12 O8 S -","- C536 H392 F24 Fe24 Mn8 N96 O64 S8 -","8","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1492","0.1305","","","0.2771","0.2862","","","","","","1.16","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132785","8.048","0.0006","5.946","0.0004","34.639","0.003","90","","95.953","0.003","90","","1648.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Cao, Yi-Ming; Lentz, Dieter; Christmann, Mathias","Synthesis of Enantioenriched Bromohydrins via Divergent Reactions of Racemic Intermediates from Anchimeric Oxygen Borrowing.","Journal of the American Chemical Society","2018","140","34","10677","10681","10.1021/jacs.8b06432","","","1.54178","CuKα","","0.029","0.028","","","0.0718","0.0724","","","","","","1.075","","","","has coordinates","242683","2020-10-21","18:00:00",""
"4132786","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; Tian, Weisheng; Gui, Jinghan","Scalable Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","30","9413","9416","10.1021/jacs.8b06444","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","242684","2020-10-21","18:00:00",""
"4132787","26.483","0.003","21.984","0.002","20.235","0.002","90","","106.187","0.004","90","","11314","2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H83 Co F3 N6 O9 S -","- C52 H83 Co F3 N6 O9 S -","- C416 H664 Co8 F24 N48 O72 S8 -","8","2","","Shevick, Sophia L.; Obradors, Carla; Shenvi, Ryan A.","Mechanistic Interrogation of Co/Ni-Dual Catalyzed Hydroarylation.","Journal of the American Chemical Society","2018","140","38","12056","12068","10.1021/jacs.8b06458","","x-ray","0.71073","MoKα","","0.065","0.0413","","","0.0746","0.0826","","","","","","1.01","","","","has coordinates,has disorder","242685","2020-10-21","18:00:00",""
"4132788","15.4448","0.0011","19.9037","0.0013","26.3807","0.0018","86.411","0.005","82.181","0.006","79.782","0.006","7900.7","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H22 Br2 N4 O8 -","- C53.946 H21.978 Br1.998 N3.996 O7.992 -","- C215.784 H87.912 Br7.992 N15.984 O31.968 -","4","2","","Ball, Melissa L.; Zhang, Boyuan; Xu, Qizhi; Paley, Daniel W.; Ritter, Virginia Cary; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Influence of Molecular Conformation on Electron Transport in Giant, Conjugated Macrocycles.","Journal of the American Chemical Society","2018","140","32","10135","10139","10.1021/jacs.8b06565","","x-ray","1.54184","CuKα","","0.2113","0.1673","","","0.4804","0.5119","","","","","","1.846","","","","has coordinates,has disorder","242686","2020-10-21","18:00:00",""
"4132789","9.16344","0.00015","15.7018","0.0003","17.4999","0.0003","90","","95.5026","0.0016","90","","2506.33","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F12 N2 O3 W -","- C21 H22 F12 N2 O3 W -","- C84 H88 F48 N8 O12 W4 -","4","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0409","0.03","","","0.0554","0.0589","","","","","","1.05","","","","has coordinates,has disorder","242687","2020-10-21","18:00:00",""
"4132790","14.6224","0.0001","15.5338","0.0001","24.4917","0.0003","90","","92.123","0.001","90","","5559.26","0.09","100","4","100","4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","WO(OR)2(py)3","","- C23 H21 F12 N3 O3 W -","- C23 H21 F12 N3 O3 W -","- C184 H168 F96 N24 O24 W8 -","8","2","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0458","0.0335","","","0.0677","0.0725","","","","","","1.004","","","","has coordinates","242688","2020-10-21","18:00:00",""
"4132791","9.45008","0.00018","14.9417","0.0004","14.5852","0.0003","90","","99.0652","0.0019","90","","2033.71","0.08","111.92","0.15","111.92","0.15","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H59 Cl2 N O9 Si2 W -","- C29 H59 Cl2 N O9 Si2 W -","- C58 H118 Cl4 N2 O18 Si4 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0569","0.0534","","","0.1201","0.1226","","","","","","1.045","","","","has coordinates,has disorder","242689","2020-10-21","18:00:00",""
"4132792","19.9297","0.001","28.037","0.0014","16.571","0.0009","90","","90","","90","","9259.4","0.8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H69 N3 O9 Si2 W -","- C39 H69 N3 O9 Si2 W -","- C312 H552 N24 O72 Si16 W8 -","8","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0945","0.038","","","0.0668","0.0831","","","","","","1.058","","","","has coordinates","242691","2020-10-21","18:00:00",""
"4132793","9.9222","0.0006","15.4195","0.001","15.579","0.001","90","","93.791","0.001","90","","2378.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","WO(OtBuF6)2(pyr)2(ethylene)","","- C20 H20 F12 N2 O3 W -","- C20 H20 F12 N2 O3 W -","- C80 H80 F48 N8 O12 W4 -","4","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","x-ray","0.71073","MoKα","","0.0286","0.0217","","","0.044","0.0462","","","","","","1.029","","","","has coordinates","242693","2020-10-21","18:00:00",""
"4132794","9.8228","0.0006","9.9086","0.0006","14.9056","0.0008","89.146","0.002","75.888","0.002","78.116","0.002","1375.87","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","WO(OtBuF9)2(pyr)3","","- C23 H15 F18 N3 O3 W -","- C23 H15 F18 N3 O3 W -","- C46 H30 F36 N6 O6 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","x-ray","0.71073","MoKα","","0.0263","0.0205","","","0.0385","0.04","","","","","","1.068","","","","has coordinates,has disorder","242694","2020-10-21","18:00:00",""
"4132795","18.6672","0.0003","6.4223","0.0001","16.6077","0.0002","90","","90.374","0.001","90","","1990.99","0.05","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0317","0.0313","","","0.0829","0.0837","","","","","","1.038","","","","has coordinates","242695","2020-10-21","18:00:00",""
"4132796","9.2547","0.0001","14.4223","0.0003","16.4644","0.0002","90","","90","","90","","2197.57","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O2 -","- C25 H32 B N O2 -","- C100 H128 B4 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0345","0.0343","","","0.0866","0.0868","","","","","","1.019","","","","has coordinates","242696","2020-10-21","18:00:00",""
"4132797","32.768","0.007","32.768","0.007","7.461","0.0017","90","","90","","120","","6938","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C342 H378 N18 O36 -","18","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.078","0.0617","","","0.1649","0.1765","","","","","","1.067","","","","has coordinates","242697","2020-10-21","18:00:00",""
"4132798","6.69","0.002","14.091","0.004","31.349","0.011","90","","90","","90","","2955.2","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0707","0.0458","","","0.1122","0.1275","","","","","","1.021","","","","has coordinates","242698","2020-10-21","18:00:00",""
"4132799","7.9251","0.0001","28.218","0.0004","7.5682","0.0001","90","","95.489","0.001","90","","1684.72","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0475","0.0461","","","0.1228","0.1244","","","","","","1.055","","","","has coordinates","242699","2020-10-21","18:00:00",""
"4132800","18.2222","0.0016","17.2648","0.0015","16.207","0.0014","90","","90","","90","","5098.8","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38 B N O2 -","- C28 H38 B N O2 -","- C224 H304 B8 N8 O16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0552","0.0476","","","0.1158","0.1204","","","","","","1.047","","","","has coordinates","242701","2020-10-21","18:00:00",""
"4132801","15.0877","0.0018","11.8705","0.0011","19.9549","0.0018","90","","99.75","0.004","90","","3522.3","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C176 H192 N16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0482","0.0406","","","0.0979","0.1018","","","","","","1.063","","","","has coordinates","242702","2020-10-21","18:00:00",""
"4132802","10.66779","0.00016","13.865","0.0002","13.5618","0.0002","90","","94.8127","0.0015","90","","1998.84","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H17 Br O2 -","- C27 H17 Br O2 -","- C108 H68 Br4 O8 -","4","2","","Wen, Wei; Chen, Lei; Luo, Ming-Jing; Zhang, Yan; Chen, Ying-Chun; Ouyang, Qin; Guo, Qi-Xiang","Chiral Aldehyde Catalysis for the Catalytic Asymmetric Activation of Glycine Esters.","Journal of the American Chemical Society","2018","140","30","9774","9780","10.1021/jacs.8b06676","","x-ray","1.54184","CuKα","","0.0675","0.0666","","","0.1735","0.1755","","","","","","1.019","","","","has coordinates","242703","2020-10-21","18:00:00",""
"4132803","9.609","0.0004","8.9512","0.0004","12.4737","0.0005","90","","101.073","0.001","90","","1052.92","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0265","0.0265","","","0.0684","0.0684","","","","","","1.062","","","","has coordinates","242704","2020-10-21","18:00:00",""
"4132804","7.8167","0.0003","15.1723","0.0005","20.1325","0.0007","90","","90","","90","","2387.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O4 -","- C25 H36 N2 O4 -","- C100 H144 N8 O16 -","4","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0574","0.0461","","","0.1154","0.1232","","","","","","1.026","","","","has coordinates","242705","2020-10-21","18:00:00",""
"4132805","15.6389","0.0003","15.6389","","13.9429","0.0004","90","","90","","90","","3410.09","0.12","100","2","100","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C12.5 H10.5 N5.5 O5.5 Zn -","- C11 H7 N5 O5 Zn -","- C88 H56 N40 O40 Zn8 -","8","0.5","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0536","0.0535","","","0.1449","0.1449","","","","","","1.059","","","","has coordinates,has disorder","242706","2020-10-21","18:00:00",""
"4132806","15.0337","0.0001","15.0402","0.0001","25.0437","0.0002","90","","90","","90","","5662.63","0.07","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N6 O5.5 Zn -","- C11 H9 N6 O5.5 Zn -","- C176 H144 N96 O88 Zn16 -","16","2","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0665","0.0659","","","0.1743","0.1754","","","","","","1.066","","","","has coordinates","242707","2020-10-21","18:00:00",""
"4132807","15.6362","0.0001","15.6362","","13.9515","0.0001","90","","90","","90","","3411.01","0.03","100","2","100","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C12.5 H10.5 N5.5 O5.5 Zn -","- C11 H7 N5 O5 Zn -","- C88 H56 N40 O40 Zn8 -","8","0.5","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0279","0.0279","","","0.0792","0.0792","","","","","","1.026","","","","has coordinates,has disorder","242708","2020-10-21","18:00:00",""
"4132808","16.644","0.002","16.644","0.002","13.854","0.002","90","","90","","90","","3837.9","0.9","293","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","1","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","0.8","Synchrotron","","0.0984","0.0879","","","0.2547","0.2703","","","","","","1.07","","","","has coordinates","242709","2020-10-21","18:00:00",""
"4132809","13.3796","0.0002","13.3796","0.0002","9.7766","0.0003","90","","90","","90","","1750.15","0.07","293","2","293","2","","","","","","","","5","I 4","I 4","79","Titanyl Tetraphenylporphyrin","","","- C44 H28 N4 O Ti -","- C44 H28 N4 O Ti -","- C88 H56 N8 O2 Ti2 -","2","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","1.54184","CuKα","","0.0579","0.0503","","","0.1325","0.1399","","","","","","1.037","","","","has coordinates,has disorder","242710","2020-10-21","18:00:00",""
"4132810","12.8801","0.0001","14.6375","0.0001","11.2233","0.0001","90","","93.525","0.001","90","","2111.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O -","- C23 H30 N4 O -","- C92 H120 N16 O4 -","4","1","","Siu, Juno C.; Sauer, Gregory S.; Saha, Ambarneil; Macey, Reed L.; Fu, Niankai; Chauviré, Timothée; Lancaster, Kyle M.; Lin, Song","Electrochemical Azidooxygenation of Alkenes Mediated by a TEMPO-N<sub>3</sub> Charge-Transfer Complex.","Journal of the American Chemical Society","2018","140","39","12511","12520","10.1021/jacs.8b06744","","x-ray","1.54184","CuKα","","0.04","0.0388","","","0.1041","0.105","","","","","","1.043","","","","has coordinates","242711","2020-10-21","18:00:00",""
"4132811","34.835","0.007","43.607","0.009","15.766","0.003","90","","90","","90","","23949","8","100","2","100","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C44 H96 Cl4 O164 Zr36 -","- C44 H74 Cl4 O180 Zr36 -","- C176 H296 Cl16 O720 Zr144 -","4","0.25","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.65","synchrotron","","0.0597","0.0477","","","0.1264","0.133","","","","","","0.979","","","","has coordinates","242712","2020-10-21","18:00:00",""
"4132812","37.539","0.004","37.539","0.004","37.539","0.004","90","","90","","90","","52899","10","100","2","100","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C48 H96 Cl3 K3 O168 Zr36 -","- C48 H72 Cl3 K3 O178.2 Zr36 -","- C384 H576 Cl24 K24 O1425.6 Zr288 -","8","0.166667","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.7","synchrotron","","0.0725","0.0645","","","0.1925","0.2021","","","","","","1.05","","","","has coordinates","242713","2020-10-21","18:00:00",""
"4132813","12.5727","0.0015","13.0829","0.0016","13.4393","0.0017","94.145","0.004","96.365","0.004","107.952","0.004","2076.7","0.4","100","","99.91","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 B F17 P -","- C47 H29 B F17 P -","- C94 H58 B2 F34 P2 -","2","1","","Mandal, Dipendu; Gupta, Richa; Young, Rowan D.","Selective Monodefluorination and Wittig Functionalization of gem-Difluoromethyl Groups to Generate Monofluoroalkenes.","Journal of the American Chemical Society","2018","140","34","10682","10686","10.1021/jacs.8b06770","","","0.71073","MoKα","","0.1345","0.0908","","","0.2228","0.262","","","","","","1.032","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132814","14.0315","0.0012","14.0315","0.0012","10.2484","0.0017","90","","90","","120","","1747.4","0.4","100","2","99.98","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.079","0.068","","","0.1909","0.1963","","","","","","1.114","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132815","13.657","0.0011","13.657","0.0011","9.7446","0.001","90","","90","","120","","1574","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1506","0.1093","","","0.347","0.3778","","","","","","1.371","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132816","13.729","0.002","13.729","0.002","9.58","0.004","90","","90","","120","","1563.8","0.7","100","2","100.01","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1695","0.1393","","","0.4038","0.4215","","","","","","1.711","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132817","13.7048","0.0007","13.7048","0.0007","10.1772","0.001","90","","90","","120","","1655.4","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1047","0.0789","","","0.2526","0.2723","","","","","","1.14","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132818","22.04","0.006","18.983","0.005","34.465","0.008","90","","97.799","0.004","90","","14286","6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C150 H134 Au10 Cl2 O P8 Pd -","- C150 H134 Au10 Cl2 O P8 Pd -","- C600 H536 Au40 Cl8 O4 P32 Pd4 -","4","1","","Takano, Shinjiro; Hirai, Haru; Muramatsu, Satoru; Tsukuda, Tatsuya","Hydride-Mediated Controlled Growth of a Bimetallic (Pd@Au<sub>8</sub>)<sup>2+</sup> Superatom to a Hydride-Doped (HPd@Au<sub>10</sub>)<sup>3+</sup> Superatom.","Journal of the American Chemical Society","2018","140","39","12314","12317","10.1021/jacs.8b06783","","","0.71075","MoKα","","0.0656","0.0579","","","0.1389","0.1461","","","","","","1.131","","","","has coordinates","242716","2020-10-21","18:00:00",""
"4132819","25.297","0.008","28.549","0.006","13.719","0.005","90","","90","","90","","9908","5","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C12.76 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2241","0.1303","","","0.3431","0.4277","","","","","","1.212","","","","has coordinates,has disorder","242717","2020-10-21","18:00:00",""
"4132820","25.238","0.003","26.867","0.003","16.779","0.002","90","","90","","90","","11377","2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H6 O16 Zr3 -","- C13 H6 O16 Zr3 -","- C104 H48 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1224","0.0824","","","0.2176","0.2713","","","","","","1.015","","","","has coordinates","242718","2020-10-21","18:00:00",""
"4132821","25.325","0.002","28.408","0.003","14.2372","0.0016","90","","90","","90","","10242.7","1.8","300","","299.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.192","0.1222","","","0.3282","0.4042","","","","","","1.249","","","","has coordinates,has disorder","242719","2020-10-21","18:00:00",""
"4132822","25.1372","0.0007","28.199","0.0008","15.8108","0.0005","90","","90","","90","","11207.4","0.6","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11.87 H5 O16 Zr3 -","- C11.8666 H5 O16 Zr3 -","- C94.9328 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.0692","0.0473","","","0.1401","0.1501","","","","","","1.076","","","","has coordinates","242720","2020-10-21","18:00:00",""
"4132823","25.1305","0.0009","26.1041","0.0011","18.9051","0.0009","90","","90","","90","","12401.9","0.9","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H3 O16 Zr4.8 -","- C13 H3 O16 Zr4.8 -","- C104 H24 O128 Zr38.4 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2184","0.1547","","","0.4405","0.4817","","","","","","1.834","","","","has coordinates","242721","2020-10-21","18:00:00",""
"4132824","25.385","0.003","30.661","0.003","8.2771","0.0009","90","","90","","90","","6442.3","1.2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11 H5 O16 Zr3 -","- C11 H5 O16 Zr3 -","- C88 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1164","0.0882","","","0.2212","0.239","","","","","","1.037","","","","has coordinates","242722","2020-10-21","18:00:00",""
"4132825","25.2517","0.0015","29.1742","0.0016","12.7318","0.0011","90","","90","","90","","9379.5","1.1","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C23 H10 O28 Zr6 -","- C23 H10 O28 Zr6 -","- C92 H40 O112 Zr24 -","4","0.25","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1176","0.0741","","","0.1961","0.2359","","","","","","0.952","","","","has coordinates","242723","2020-10-21","18:00:00",""
"4132826","25.347","0.002","28.534","0.004","13.8822","0.0015","90","","90","","90","","10040.3","1.9","250","","249.98","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2331","0.1297","","","0.3353","0.4277","","","","","","1.177","","","","has coordinates","242724","2020-10-21","18:00:00",""
"4132827","8.2246","0.0004","11.1146","0.0005","13.3192","0.0006","90","","90","","90","","1217.55","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Wang, Chao; Ge, Shaozhong","Versatile Cobalt-Catalyzed Enantioselective Entry to Boryl-Functionalized All-Carbon Quaternary Stereogenic Centers.","Journal of the American Chemical Society","2018","140","34","10687","10690","10.1021/jacs.8b06814","","","1.54178","CuKα","","0.0258","0.0256","","","0.0672","0.0675","","","","","","1.061","","","","has coordinates","242725","2020-10-21","18:00:00",""
"4132828","9.6162","0.0003","11.1763","0.0004","19.1286","0.0007","90","","90","","90","","2055.82","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 O4 Si -","- C17 H32 O4 Si -","- C68 H128 O16 Si4 -","4","1","","Shim, Su Yong; Choi, Yuna; Ryu, Do Hyun","Asymmetric Synthesis of Cyclobutanone via Lewis Acid Catalyzed Tandem Cyclopropanation/Semipinacol Rearrangement.","Journal of the American Chemical Society","2018","140","36","11184","11188","10.1021/jacs.8b06835","","","0.71073","MoKα","","0.0813","0.0511","","","0.1123","0.1283","","","","","","1.035","","","","has coordinates","242726","2020-10-21","18:00:00",""
"4132829","15.389","0.002","15.389","0.002","15.389","0.002","90","","90","","90","","3644.4","0.8","143","2","143","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C56 H40 O2 -","- C55.9992 H39.9984 O1.9998 -","- C223.997 H159.994 O7.9992 -","4","0.166667","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0586","0.0447","","","0.1178","0.1269","","","","","","1.071","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132830","14.5888","0.0002","17.7841","0.0003","24.7553","0.0003","88.1169","0.0012","77.0096","0.0012","71.8812","0.0013","5943.27","0.16","123","2","123.15","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H46.88 Cl3.38 -","- C76 H46.875 Cl3.375 -","- C304 H187.5 Cl13.5 -","4","2","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","x-ray","0.71073","MoKα","","0.1735","0.1122","","","0.3374","0.3797","","","","","","1.337","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132831","21.2743","0.0006","21.2743","0.0006","39.683","0.0013","90","","90","","120","","15554.1","0.8","123","","123","","","","","","","","","3","P 63","P 6c","173","","","","- C131 H48 S5.2 -","- C130.998 H48 S5.1664 -","- C785.99 H288 S30.9984 -","6","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71073","MoKα","","0.2331","0.1554","","","0.3771","0.4369","","","","","","1.596","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132832","15.3269","0.0018","15.3269","0.0018","6.7369","0.0008","90","","90","","90","","1582.6","0.3","123","","123","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H8 Br8 -","- C32 H8 Br8 -","- C64 H16 Br16 -","2","0.25","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0627","0.0499","","","0.1206","0.1269","","","","","","1.04","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132833","26.519","0.003","16.3677","0.0014","7.2411","0.0005","90","","91.013","0.003","90","","3142.5","0.5","123","2","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br8 -","- C32 H16 Br8 -","- C128 H64 Br32 -","4","0.5","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0257","0.0207","","","0.0549","0.056","","","","","","1.018","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132834","17.425","0.005","17.425","0.005","4.1752","0.0011","90","","90","","90","","1267.7","0.6","123","","123","2","","","","","","","","3","P -4","P -4","81","","","","- C16 H10 Br2 -","- C16 H10 Br2 -","- C64 H40 Br8 -","4","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0566","0.0437","","","0.0913","0.0946","","","","","","0.938","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132835","9.151","0.003","16.045","0.005","17.033","0.004","101.204","0.007","91.626","0.005","103.253","0.006","2380.9","1.2","123","2","123","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H24 Br12 -","- C48 H24 Br12 -","- C96 H48 Br24 -","2","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0535","0.0308","","","0.0569","0.0636","","","","","","1.004","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132836","16.0517","0.0002","8.0441","0.0001","24.0949","0.0003","90","","101.394","0.001","90","","3049.85","0.07","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N7 O6 -","- C11 H15 N7 O6 -","- C88 H120 N56 O48 -","8","1","","Li, Hongze; Shen, Shou-Jie; Zhu, Cheng-Liang; Xu, Hao","Enantioselective Synthesis of Oseltamivir Phosphate (Tamiflu) via the Iron-Catalyzed Stereoselective Olefin Diazidation.","Journal of the American Chemical Society","2018","140","33","10619","10626","10.1021/jacs.8b06900","","","1.54178","CuKα","","0.0351","0.0344","","","0.0879","0.0886","","","","","","1.065","","","","has coordinates","242728","2020-10-21","18:00:00",""
"4132837","21.9819","0.0008","40.8081","0.0014","26.4575","0.0008","90","","109.805","0.001","90","","22329.6","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 Ni P16 -","- C208 H176 Cu8 N8 Ni P16 -","- C832 H704 Cu32 N32 Ni4 P64 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.0801","0.0479","","","0.1282","0.1361","","","","","","1.056","","","","has coordinates,has disorder","242729","2020-10-21","18:00:00",""
"4132838","22.102","0.003","41.025","0.007","26.653","0.003","90","","109.729","0.005","90","","22749","6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 P16 Pt -","- C208 H176 Cu8 N8 P16 Pt -","- C832 H704 Cu32 N32 P64 Pt4 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.1172","0.0591","","","0.1309","0.146","","","","","","0.977","","","","has coordinates,has disorder","242730","2020-10-21","18:00:00",""
"4132839","25.734","0.002","25.734","","15.573","0.001","90","","90","","120","","8931.4","0.9","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C52 H44 Cl0 Cu2 F0 N2 P4 -","- C52 H44 Cu2 N2 P4 -","- C312 H264 Cu12 N12 P24 -","6","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71069","MoKα","","0.0894","0.0587","","","0.1356","0.1463","","","","","","0.935","","","","has coordinates,has disorder","242731","2020-10-21","18:00:00",""
"4132840","22.143","0.002","40.92","0.004","26.645","0.002","90","","109.747","0.004","90","","22723","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 P16 Pd -","- C208 H176 Cu8 N8 P16 Pd -","- C832 H704 Cu32 N32 P64 Pd4 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.1047","0.0536","","","0.1244","0.1375","","","","","","0.953","","","","has coordinates,has disorder","242732","2020-10-21","18:00:00",""
"4132841","9.953","0.002","11.3275","0.0018","20.749","0.007","100.758","0.014","92.964","0.018","107.228","0.017","2180.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H74 B2 N4 -","- C47 H74 B2 N4 -","- C94 H148 B4 N8 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0634","0.0463","","","0.1036","0.1112","","","","","","1.043","","","","has coordinates","242733","2020-10-21","18:00:00",""
"4132842","9.284","0.003","10.496","0.003","13.51","0.004","85.852","0.009","89.48","0.02","76.537","0.009","1276.9","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H44 B N3 -","- C27 H44 B N3 -","- C54 H88 B2 N6 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0703","0.0465","","","0.101","0.1118","","","","","","1.02","","","","has coordinates","242734","2020-10-21","18:00:00",""
"4132843","10.2712","0.0015","13.8992","0.0018","16.968","0.002","112.261","0.004","95.387","0.005","95.049","0.005","2211.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H76 B2 N4 -","- C47 H76 B2 N4 -","- C94 H152 B4 N8 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.07","0.0495","","","0.1153","0.1294","","","","","","1.016","","","","has coordinates","242735","2020-10-21","18:00:00",""
"4132844","10.071","0.006","11.638","0.006","20.934","0.013","75.374","0.018","87.833","0.017","71.33","0.02","2247","2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H74 B2 N4 O -","- C48 H74 B2 N4 O -","- C96 H148 B4 N8 O2 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0565","0.0412","","","0.0933","0.1011","","","","","","1.024","","","","has coordinates","242736","2020-10-21","18:00:00",""
"4132845","9.589","0.005","26.28","0.014","17.416","0.018","90","","95.42","0.05","90","","4369","6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H74 B2 N4 -","- C47 H74 B2 N4 -","- C188 H296 B8 N16 -","4","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0959","0.0539","","","0.1119","0.128","","","","","","1.009","","","","has coordinates","242737","2020-10-21","18:00:00",""
"4132846","11.7","0.006","29.459","0.015","15.953","0.005","90","","92.18","0.03","90","","5495","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H92 B2 N6 -","- C60 H92 B2 N6 -","- C240 H368 B8 N24 -","4","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0511","0.0399","","","0.0934","0.099","","","","","","1.017","","","","has coordinates","242738","2020-10-21","18:00:00",""
"4132847","12.5497","0.0017","16.7205","0.0017","49.892","0.007","90","","90","","90","","10469","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H83 Cl17 N4 O S6 -","- C94 H83 Cl17 N4 O S6 -","- C376 H332 Cl68 N16 O4 S24 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","1.54184","CuKα","","0.2229","0.1417","","","0.2946","0.3695","","","","","","1.116","","","","has coordinates,has disorder","242739","2020-10-21","18:00:00",""
"4132848","13.511","0.003","27.674","0.006","14.945","0.003","90","","115.79","0.03","90","","5031","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N2 S3 -","- C42 H30 N2 S3 -","- C168 H120 N8 S12 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.1368","0.1272","","","0.3594","0.3649","","","","","","1.089","","","","has coordinates","242740","2020-10-21","18:00:00",""
"4132849","12.841","0.003","13.475","0.003","13.87","0.003","90.48","0.03","109.93","0.03","96.86","0.03","2237","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N2 S3 -","- C42 H31 N2 S3 -","- C84 H62 N4 S6 -","2","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0886","0.0867","","","0.2683","0.2692","","","","","","1.092","","","","has coordinates","242741","2020-10-21","18:00:00",""
"4132850","16.094","0.003","35.62","0.007","15.672","0.003","90","","90","","90","","8984","3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C84 H63 I3 N4 S6 -","- C84 H63 I3 N4 S6 -","- C336 H252 I12 N16 S24 -","4","0.5","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0712","0.0653","","","0.1867","0.1949","","","","","","1.024","","","","has coordinates","242742","2020-10-21","18:00:00",""
"4132851","8.712","0.012","9.31","0.012","10.408","0.014","90.938","0.015","106.524","0.011","110.571","0.016","751.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 O2 S4 -","- C30 H40 N2 O2 S4 -","- C30 H40 N2 O2 S4 -","1","0.5","","Zang, Yaping; Ray, Suman; Fung, E-Dean; Borges, Anders; Garner, Marc H.; Steigerwald, Michael L.; Solomon, Gemma C.; Patil, Satish; Venkataraman, Latha","Resonant Transport in Single Diketopyrrolopyrrole Junctions.","Journal of the American Chemical Society","2018","140","41","13167","13170","10.1021/jacs.8b06964","","","0.71073","MoKα","","0.0759","0.0597","","","0.1956","0.2234","","","","","","0.853","","","","has coordinates","242743","2020-10-21","18:00:00",""
"4132852","8.4494","0.0006","12.7483","0.0008","25.855","0.002","90","","90","","90","","2785","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I N O -","- C16 H14 I N O -","- C128 H112 I8 N8 O8 -","8","2","","Yoon, Hyung; Marchese, Austin D.; Lautens, Mark","Carboiodination Catalyzed by Nickel.","Journal of the American Chemical Society","2018","140","35","10950","10954","10.1021/jacs.8b06966","","","0.71073","MoKα","","0.052","0.0392","","","0.0859","0.0908","","","","","","1.045","","","","has coordinates,has disorder","242744","2020-10-21","18:00:00",""
"4132853","12.9127","0.0005","15.209","0.0006","27.6092","0.0009","90","","90.251","0.003","90","","5422.1","0.3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C54 H59 Cl2 Fe2 O2 P3 S3 -","- C54 H59 Cl2 Fe2 O2 P3 S3 -","- C216 H236 Cl8 Fe8 O8 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","","0.71073","MoKα","","0.0784","0.0526","","","0.1155","0.1253","","","","","","1.012","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132854","13.971","0.002","25.09","0.004","18.274","0.003","90","","102.738","0.002","90","","6248","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B Cl2 F4 Fe2 O2 P3 S3 -","- C54 H60 B Cl2 F4 Fe2 O2 P3 S3 -","- C216 H240 B4 Cl8 F16 Fe8 O8 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","","0.71","MoKα","","0.1201","0.0621","","","0.1386","0.1718","","","","","","1.017","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132855","17.9369","0.0005","18.5508","0.0006","18.5978","0.0006","87.191","0.003","75.218","0.003","72.693","0.003","5710.2","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C85 H70 B F24 Fe2 O2 P3 S3 -","- C85 H70 B F24 Fe2 O2 P3 S3 -","- C170 H140 B2 F48 Fe4 O4 P6 S6 -","2","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","1.54184","CuKα","","0.1","0.0759","","","0.2119","0.2416","","","","","","1.129","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132856","12.9031","0.0005","14.8618","0.0006","17.6715","0.0007","97.274","0.003","107.312","0.003","109.106","0.004","2961.3","0.2","172.9","0.5","172.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C56 H64 B Cl4 F4 Fe2 O2 P3 S3 -","- C56 H64 B Cl4 F4 Fe2 O2 P3 S3 -","- C112 H128 B2 Cl8 F8 Fe4 O4 P6 S6 -","2","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","0.71073","MoKα","","0.0715","0.0519","","","0.1328","0.1414","","","","","","1.09","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132857","12.6592","0.0002","21.1825","0.0004","23.4254","0.0004","90","","97.296","0.002","90","","6230.74","0.19","173","0.1","173","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H62 B Cl6 F4 Fe2 O3 P3 S3 -","- C57 H62 B Cl6 F4 Fe2 O3 P3 S3 -","- C228 H248 B4 Cl24 F16 Fe8 O12 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","1.54184","CuKα","","0.0772","0.0559","","","0.116","0.1326","","","","","","1.036","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132858","11.9577","0.0006","16.1735","0.0005","20.8289","0.0013","94.728","0.004","105.621","0.005","95.118","0.003","3840.1","0.3","173","0.14","173","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C61 H87 B F24 Fe N2 P4 Si3 -","- C61 H87 B F24 Fe N2 P4 Si3 -","- C122 H174 B2 F48 Fe2 N4 P8 Si6 -","2","1","","Piascik, Adam D.; Li, Ruohao; Wilkinson, Harry J.; Green, Jennifer C.; Ashley, Andrew E.","Fe-Catalyzed Conversion of N<sub>2</sub> to N(SiMe<sub>3</sub>)<sub>3</sub> via an Fe-Hydrazido Resting State.","Journal of the American Chemical Society","2018","140","34","10691","10694","10.1021/jacs.8b06999","","x-ray","0.71073","MoKα","","0.1426","0.079","","","0.1875","0.2098","","","","","","1.013","","","","has coordinates,has disorder","242746","2020-10-21","18:00:00",""
"4132859","5.7976","0.0004","9.0018","0.0007","32.4827","0.0018","90","","90","","90","","1695.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Huang, Rui-Zhi; Lau, Kai Kiat; Li, Zhaofeng; Liu, Tang-Lin; Zhao, Yu","Rhodium-Catalyzed Enantioconvergent Isomerization of Homoallylic and Bishomoallylic Secondary Alcohols.","Journal of the American Chemical Society","2018","140","44","14647","14654","10.1021/jacs.8b07007","","","1.54178","CuKα","","0.0289","0.0288","","","0.0771","0.0771","","","","","","0.999","","","","has coordinates","242747","2020-10-21","18:00:00",""
"4132860","22.24","0.005","22.24","0.005","15.76","0.005","90","","90","","90","","7795","4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C60 N8 O32 Zr6 -","- C60 N8 O32 Zr6 -","- C120 N16 O64 Zr12 -","2","0.0625","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.82656","synchrotron","","0.1779","0.1614","","","0.427","0.4507","","","","","","1.837","","","","has coordinates","242748","2020-10-21","18:00:00",""
"4132861","21.19","0.005","21.19","0.005","18.91","0.005","90","0.005","90","0.005","90","0.005","8491","4","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C24 H12 N4 O16 Zr3 -","- C24 H12 N4 O16 Zr3 -","- C96 H48 N16 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.147","0.125","","","0.3303","0.3753","","","","","","1.57","","","","has coordinates","242749","2020-10-21","18:00:00",""
"4132862","16.68","","16.68","","17.94","","90","","90","","90","","4991.31","","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C12 H8 O16 Zr3 -","- C12 H8 O16 Zr3 -","- C48 H32 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.1488","0.138","","","0.3859","0.3986","","","","","","1.655","","","","has coordinates","242750","2020-10-21","18:00:00",""
"4132863","17.54","0.005","17.54","0.005","22.85","0.005","90","0.005","90","0.005","90","0.005","7030","3","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C24 H8 O16 Zr3 -","- C24 H8 O16 Zr3 -","- C96 H32 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.0985","0.0791","","","0.2255","0.2555","","","","","","1.141","","","","has coordinates","242751","2020-10-21","18:00:00",""
"4132864","11.8908","0.0003","15.5218","0.0003","19.7689","0.0005","95.344","0.001","90.555","0.001","108.045","0.001","3451.27","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C165 H252 Li8 N8 -","- C165 H252 Li8 N8 -","- C165 H252 Li8 N8 -","1","0.5","","Mesgar, Milad; Nguyen-Le, Justin; Daugulis, Olafs","New Hindered Amide Base for Aryne Insertion into Si-P, Si-S, Si-N, and C-C Bonds.","Journal of the American Chemical Society","2018","140","42","13703","13710","10.1021/jacs.8b07064","","","1.54178","CuKα","","0.0668","0.0591","","","0.1575","0.1674","","","","","","1.014","","","","has coordinates,has disorder","242752","2020-10-21","18:00:00",""
"4132865","23.127","0.004","7.4851","0.0012","24.166","0.004","90","","117.648","0.002","90","","3705.7","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.65 H80.68 N9 O12.41 S3 -","- C57.663 H80.698 N9 O12.407 S3 -","- C115.326 H161.396 N18 O24.814 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1471","0.0914","","","0.2259","0.2612","","","","","","1.04","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132866","24.069","0.002","24.069","0.002","7.3724","0.0007","90","","90","","120","","3698.8","0.6","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.71 H75 F4.71 N9 O12 S3 -","- C58.71 H75 F4.71 N9 O12 S3 -","- C117.42 H150 F9.42 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0552","0.0466","","","0.1108","0.1157","","","","","","1.072","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132867","24.1573","0.0019","24.1573","0.0019","7.3306","0.0006","90","","90","","120","","3704.8","0.5","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C60 H75 F6 N9 O12 S3 -","- C60 H75 F6 N9 O12 S3 -","- C120 H150 F12 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0374","0.0334","","","0.0806","0.0843","","","","","","1.041","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132868","23.536","0.016","7.566","0.005","23.941","0.017","90","","118.697","0.013","90","","3740","4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52.3 H72.35 N9 O11.81 S3 -","- C52.29 H72.34 N9 O11.81 S3 -","- C104.58 H144.68 N18 O23.62 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1721","0.1524","","","0.3773","0.4011","","","","","","1.524","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132869","23.138","0.003","7.4965","0.0009","24.249","0.003","90","","117.913","0.0019","90","","3716.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.99 H78.1 N9 O12.22 S3 -","- C55.989 H78.094 N9 O12.221 S3 -","- C111.978 H156.188 N18 O24.442 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1178","0.0853","","","0.2315","0.2637","","","","","","1.015","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132870","23.56","0.02","7.427","0.007","24.06","0.02","90","","119.054","0.008","90","","3680","6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.97 H68.53 F2.13 N9 O11.54 S3 -","- C52.02 H68.56 F2.16 N9 O11.54 S3 -","- C104.04 H137.12 F4.32 N18 O23.08 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.186","0.1634","","","0.4232","0.4395","","","","","","1.669","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132871","23.775","0.019","7.455","0.006","24.128","0.019","90","","119.33","0.007","90","","3728","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.86 H67.42 F2.74 N9 O11.46 S3 -","- C51.9 H67.44 F2.76 N9 O11.46 S3 -","- C103.8 H134.88 F5.52 N18 O22.92 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1512","0.1335","","","0.3627","0.3766","","","","","","1.502","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132872","24.102","0.013","24.102","0.013","7.467","0.004","90","","90","","120","","3756","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C53.9 H69.35 F3.53 N9 O11.6 S3 -","- C53.922 H69.372 F3.54 N9 O11.598 S3 -","- C107.844 H138.744 F7.08 N18 O23.196 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1215","0.1013","","","0.2538","0.2711","","","","","","1.06","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132873","23.156","0.003","7.5003","0.0011","24.257","0.003","90","","117.923","0.002","90","","3722.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.79 H77.78 N9 O12.2 S3 -","- C55.8 H77.8 N9 O12.2 S3 -","- C111.6 H155.6 N18 O24.4 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1187","0.0853","","","0.2285","0.2586","","","","","","1.018","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132874","24.155","0.016","24.155","0.016","7.471","0.005","90","","90","","120","","3775","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C55.24 H71.95 F3.2 N9 O11.78 S3 -","- C55.254 H71.976 F3.198 N9 O11.784 S3 -","- C110.508 H143.952 F6.396 N18 O23.568 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1132","0.0877","","","0.2165","0.2346","","","","","","1.072","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132875","24.002","0.005","24.002","0.005","7.3978","0.0014","90","","90","","120","","3690.9","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.32 H73.09 F3.55 N9 O11.86 S3 -","- C56.31 H73.068 F3.552 N9 O11.862 S3 -","- C112.62 H146.136 F7.104 N18 O23.724 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0792","0.0617","","","0.157","0.1678","","","","","","1.052","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132876","24.012","0.005","24.012","0.005","7.3899","0.0015","90","","90","","120","","3690","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.94 H73.66 F3.8 N9 O11.9 S3 -","- C56.94 H73.656 F3.804 N9 O11.904 S3 -","- C113.88 H147.312 F7.608 N18 O23.808 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0755","0.055","","","0.1353","0.1459","","","","","","1.057","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132877","22.955","0.005","7.4557","0.0016","24.079","0.005","90","","117.366","0.003","90","","3659.8","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.06 H79.76 N9 O12.34 S3 -","- C57.06 H79.76 N9 O12.34 S3 -","- C114.12 H159.52 N18 O24.68 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0996","0.0781","","","0.2126","0.2289","","","","","","1.051","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132878","24.031","0.003","24.031","0.003","7.4029","0.0009","90","","90","","120","","3702.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.98 H75 F4.98 N9 O12 S3 -","- C58.974 H75 F4.974 N9 O12 S3 -","- C117.948 H150 F9.948 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0389","0.035","","","0.0873","0.0896","","","","","","1.064","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132879","23.083","0.006","7.4875","0.0019","24.195","0.006","90","","117.476","0.004","90","","3710","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.35 H80.21 N9 O12.37 S3 -","- C57.33 H80.18 N9 O12.37 S3 -","- C114.66 H160.36 N18 O24.74 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1077","0.0774","","","0.2043","0.2313","","","","","","1.013","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132880","23.21","0.007","7.505","0.002","24.29","0.007","90","","118.069","0.006","90","","3733.4","1.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.58 H77.45 N9 O12.18 S3 -","- C55.593 H77.478 N9 O12.177 S3 -","- C111.186 H154.956 N18 O24.354 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.41328","synchrotron","","0.2129","0.1386","","","0.3236","0.3789","","","","","","1.246","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132881","13.9142","0.0002","8.6687","0.0001","15.2614","0.0002","90","","106.428","0.001","90","","1765.65","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan","Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.","Journal of the American Chemical Society","2018","140","39","12323","12327","10.1021/jacs.8b07108","","","1.54178","CuKα","","0.0416","0.0361","","","0.094","0.0982","","","","","","1.039","","","","has coordinates","242754","2020-10-21","18:00:00",""
"4132882","4.9956","0.0002","9.5201","0.0004","17.7596","0.0007","102.122","0.003","92.757","0.003","90.57","0.003","824.66","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C36 H42 N6 O4 -","2","1","","Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan","Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.","Journal of the American Chemical Society","2018","140","39","12323","12327","10.1021/jacs.8b07108","","","1.54178","CuKα","","0.1159","0.0585","","","0.1267","0.1527","","","","","","0.977","","","","has coordinates,has disorder","242755","2020-10-21","18:00:00",""
"4132883","17.7914","0.0005","22.1948","0.0006","12.5214","0.0003","90","","108.913","0.003","90","","4677.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 O8 Th -","- C24 H12 O8 Th -","- C192 H96 O64 Th8 -","8","1","","Andreo, Jacopo; Priola, Emanuele; Alberto, Gabriele; Benzi, Paola; Marabello, Domenica; Proserpio, Davide M.; Lamberti, Carlo; Diana, Eliano","Autoluminescent Metal-Organic Frameworks (MOFs): Self-Photoemission of a Highly Stable Thorium MOF.","Journal of the American Chemical Society","2018","140","43","14144","14149","10.1021/jacs.8b07113","","x-ray","1.54184","CuKα","","0.036","0.0206","","","0.045","0.0513","","","","","","1.053","","","","has coordinates","242756","2020-10-21","18:00:00",""
"4132884","12.2182","0.0011","18.0171","0.0017","12.297","0.0012","90","","92.787","0.002","90","","2703.8","0.4","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C108 H128 B2 Cl8 F8 N4 O8 P4 Rh2 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0565","0.0509","","","0.1217","0.1254","","","","","","1.035","","","","has coordinates","242757","2020-10-21","18:00:00",""
"4132885","8.1187","0.0005","17.3795","0.0011","26.7272","0.0017","90","","90","","90","","3771.2","0.4","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 N O4 -","- C46 H55 N O4 -","- C184 H220 N4 O16 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0589","0.0455","","","0.1053","0.1125","","","","","","1.031","","","","has coordinates","242758","2020-10-21","18:00:00",""
"4132886","11.4166","0.0014","11.8782","0.0015","13.8141","0.0017","90","","90","","90","","1873.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N O2 P -","- C22 H24 N O2 P -","- C88 H96 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0481","0.0437","","","0.1037","0.1069","","","","","","1.053","","","","has coordinates","242759","2020-10-21","18:00:00",""
"4132887","9.5365","0.001","9.5132","0.001","12.9888","0.0014","90","","97.298","0.002","90","","1168.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br2 N O3 -","- C25 H27 Br2 N O3 -","- C50 H54 Br4 N2 O6 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0493","0.039","","","0.0904","0.095","","","","","","0.922","","","","has coordinates","242760","2020-10-21","18:00:00",""
"4132888","11.5285","0.0015","14.1892","0.0018","18.146","0.002","90","","90","","90","","2968.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N O2 P -","- C36 H36 N O2 P -","- C144 H144 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.064","0.0506","","","0.1218","0.1306","","","","","","1.023","","","","has coordinates","242761","2020-10-21","18:00:00",""
"4132889","9.8789","0.0007","16.8273","0.0011","18.6928","0.0012","90","","92.193","0.001","90","","3105.1","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H36 Au Cl N O2 P -","- C36 H36 Au Cl N O2 P -","- C144 H144 Au4 Cl4 N4 O8 P4 -","4","2","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0296","0.0233","","","0.0527","0.0565","","","","","","1.004","","","","has coordinates","242762","2020-10-21","18:00:00",""
"4132890","16.751","0.0018","18.5377","0.0019","11.9955","0.0013","90","","90","","90","","3724.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H48 Cl N O2 P Rh -","- C44 H48 Cl N O2 P Rh -","- C176 H192 Cl4 N4 O8 P4 Rh4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0439","0.0401","","","0.0912","0.0933","","","","","","1.096","","","","has coordinates","242763","2020-10-21","18:00:00",""
"4132891","9.9333","0.0009","11.0826","0.001","17.7523","0.0017","90","","90","","90","","1954.3","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0568","0.0419","","","0.0949","0.1024","","","","","","1.021","","","","has coordinates","242764","2020-10-21","18:00:00",""
"4132892","8.3744","0.0009","25.699","0.003","9.3187","0.0009","90","","90","","90","","2005.5","0.4","130","","130","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0808","0.0478","","","0.0926","0.1057","","","","","","1.012","","","","has coordinates","242765","2020-10-21","18:00:00",""
"4132893","10.326","0.0005","25.5247","0.0011","11.4411","0.0005","90","","91.155","0.002","90","","3014.9","0.2","100","2","99.9","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.32 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C59.322 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C118.644 H78 Cl11.78 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0738","0.0613","","","0.1365","0.1461","","","","","","1.058","","","","has coordinates,has disorder","242766","2020-10-21","18:00:00",""
"4132894","10.3499","0.0005","25.461","0.0012","11.4211","0.0006","90","","91.403","0.003","90","","3008.8","0.3","100","2","100.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.42 H45.61 Cl3.81 Co2 F6 N6 O12 S2 -","- C59.406 H45.604 Cl3.802 Co2 F6 N6 O12 S2 -","- C118.812 H91.208 Cl7.604 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0572","0.0509","","","0.1131","0.1159","","","","","","1.045","","","","has coordinates,has disorder","242768","2020-10-21","18:00:00",""
"4132895","10.2985","0.0004","22.9298","0.0009","25.5072","0.0009","90","","90","","90","","6023.3","0.4","100","2","100.29","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C223.2 H172.8 Cl8 F36 N24 O51.2 S8 Zn8 -","4","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0681","0.0657","","","0.1934","0.1953","","","","","","1.101","","","","has coordinates,has disorder","242769","2020-10-21","18:00:00",""
"4132896","10.1791","0.0003","25.6037","0.0008","11.4781","0.0004","90","","90.4539","0.0018","90","","2991.36","0.17","100","2","100.34","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H55 Co2 F9 N6 O14 S2 -","- C59 H55 Co2 F9 N6 O14 S2 -","- C118 H110 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0724","0.0634","","","0.1402","0.1467","","","","","","1.108","","","","has coordinates,has disorder","242770","2020-10-21","18:00:00",""
"4132897","10.164","0.0006","25.6088","0.0015","11.4722","0.0007","90","","90.213","0.003","90","","2986.1","0.3","100","2","100.22","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C114 H98 Cl4 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0625","0.0505","","","0.1092","0.117","","","","","","1.03","","","","has coordinates,has disorder","242771","2020-10-21","18:00:00",""
"4132898","21.588","0.0013","21.588","0.0013","41.146","0.003","90","","90","","120","","16606.7","1.9","296","2","296","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C6 In35 N4 O8 S48 -","- C6 In35 N4 O8 S48 -","- C18 In105 N12 O24 S144 -","3","0.5","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.0461","0.0317","","","0.0703","0.0752","","","","","","0.969","","","","has coordinates","242772","2020-10-21","18:00:00",""
"4132899","24.8037","0.0008","24.8037","0.0008","44.986","0.003","90","","90","","120","","23968.5","1.9","170","2","170","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 In35 N0 O15 S48 -","- C9 In35 O15 S48 -","- C36 In140 O60 S192 -","4","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.115","0.0878","","","0.2804","0.3154","","","","","","1.142","","","","has coordinates,has disorder","242773","2020-10-21","18:00:00",""
"4132900","21.5809","0.0019","21.5809","0.0019","41.108","0.004","90","","90","","120","","16580","3","296","2","296","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C6 In35 N4 O8 S48 -","- C6 In35 N4 O8 S48 -","- C18 In105 N12 O24 S144 -","3","0.5","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.0557","0.0314","","","0.0824","0.1037","","","","","","0.701","","","","has coordinates","242775","2020-10-21","18:00:00",""
"4132901","25.029","0.002","30.399","0.003","17.1175","0.0017","90","","109.996","0.006","90","","12239","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 In10 N0 O8 S16 -","- C9 In10 O8 S16 -","- C36 In40 O32 S64 -","4","1","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.1579","0.1341","","","0.3145","0.3264","","","","","","1.03","","","","has coordinates","242776","2020-10-21","18:00:00",""
"4132902","37.421","0.003","37.421","0.003","20.6962","0.0017","90","","90","","120","","25099","4","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H3 Fe12 In48 N0 O15 S93 -","- C9 H3 Fe12 In48 O15 S93 -","- C18 H6 Fe24 In96 O30 S186 -","2","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.1218","0.0792","","","0.2103","0.2286","","","","","","1.156","","","","has coordinates","242777","2020-10-21","18:00:00",""
"4132903","29.569","0.002","29.569","0.002","54.901","0.008","90","","90","","90","","48001","8","296","2","296","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- In136 S216 -","- In136 S216 -","- In272 S432 -","2","0.0625","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.2039","0.1061","","","0.3201","0.4106","","","","","","1.047","","","","has coordinates","242778","2020-10-21","18:00:00",""
"4132904","11.0414","0.0002","11.7274","0.0002","14.0159","0.0003","86.421","0.001","80.895","0.001","62.793","0.001","1593.64","0.05","302","2","302.02","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","2","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","1.34139","GaKα","","0.0782","0.0532","","","0.1237","0.1435","","","","","","1.051","","","","has coordinates","242779","2020-10-21","18:00:00",""
"4132905","12.4909","0.0008","26.885","0.002","15.9657","0.0013","90","","92.28","0.002","90","","5357.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C228 H252 N36 O36 -","12","3","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.1387","0.0946","","","0.2572","0.3078","","","","","","0.998","","","","has coordinates,has disorder","242780","2020-10-21","18:00:00",""
"4132906","6.4918","0.0002","15.5506","0.0004","15.7687","0.0005","90","","90","","90","","1591.87","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0388","0.0342","","","0.0826","0.0861","","","","","","1.042","","","","has coordinates","242781","2020-10-21","18:00:00",""
"4132907","11.064","0.0005","6.8437","0.0003","11.2124","0.0005","90","","108.073","0.002","90","","807.1","0.06","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C38 H36 N8 O4 -","2","0.5","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0403","0.0368","","","0.0952","0.0984","","","","","","1.108","","","","has coordinates","242782","2020-10-21","18:00:00",""
"4132908","13.695","0.0007","7.7192","0.0004","15.7441","0.0007","90","","103.099","0.002","90","","1621.07","0.14","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H15 F3 N4 O2 -","- C16 H15 F3 N4 O2 -","- C64 H60 F12 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0607","0.0524","","","0.1218","0.13","","","","","","1.022","","","","has coordinates,has disorder","242783","2020-10-21","18:00:00",""
"4132909","16.6835","0.001","13.0751","0.0007","7.3965","0.0005","90","","105.815","0.002","90","","1552.39","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Br N4 O2 -","- C15 H15 Br N4 O2 -","- C60 H60 Br4 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0438","0.04","","","0.1057","0.1084","","","","","","1.058","","","","has coordinates","242784","2020-10-21","18:00:00",""
"4132910","7.4513","0.0006","12.5611","0.0011","18.4953","0.0015","90","","90","","90","","1731.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C84 H68 Cl4 O16 -","4","1","","Leth, Lars A.; Næsborg, Line; Reyes-Rodríguez, Gabriel J; Tobiesen, Henriette N.; Iversen, Marc V.; Jørgensen, Karl Anker","Enantioselective Oxidative Coupling of Carboxylic Acids to α-Branched Aldehydes.","Journal of the American Chemical Society","2018","140","40","12687","12690","10.1021/jacs.8b07394","","","0.56086","AgKα","","0.0301","0.0286","","","0.0949","0.0976","","","","","","0.8658","","","","has coordinates","242785","2020-10-21","18:00:00",""
"4132911","9.3825","0.0006","10.3799","0.0006","11.1183","0.0003","76.894","0.004","89.918","0.004","73.255","0.005","1007.51","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F3 N2 Ni -","- C22 H19 Br F3 N2 Ni -","- C44 H38 Br2 F6 N4 Ni2 -","2","1","","Shen, Yangyang; Gu, Yiting; Martin, Ruben","sp<sup>3</sup> C-H Arylation and Alkylation Enabled by the Synergy of Triplet Excited Ketones and Nickel Catalysts.","Journal of the American Chemical Society","2018","140","38","12200","12209","10.1021/jacs.8b07405","","","0.7107","MoKα","","0.0777","0.0455","","","0.1031","0.1112","","","","","","0.919","","","","has coordinates","242786","2020-10-21","18:00:00",""
"4132912","18.569","0.005","34.591","0.0015","32.2034","0.0011","90","","90","","90","","20685","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C20 H16 N0.5 O8 Zr1.5 -","- C20 H10.5 N0.5 O8 Zr1.5 -","- C320 H168 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.087","0.0579","","","0.1262","0.1313","","","","","","1.002","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132913","17.7043","0.001","33.0203","0.0013","34.5937","0.0013","90","","90","","90","","20223.5","1.6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C21 H16 N0.5 O8 Zr1.5 -","- C21 H11 N0.5 O8 Zr1.5 -","- C336 H176 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0729","0.0476","","","0.1019","0.104","","","","","","1.075","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132914","19.073","0.003","32.404","0.004","34.125","0.005","90","","90","","90","","21091","5","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C25.25 H16.5 N0.5 O8 Zr1.5 -","- C25.25 H13.5 N0.5 O8 Zr1.5 -","- C404 H216 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.1411","0.0749","","","0.1627","0.1734","","","","","","1.013","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132915","22.7409","0.0008","30.7669","0.001","32.844","0.0012","90","","90","","90","","22979.9","1.4","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C96 H42 N2 O32 Zr6 -","- C96 H42 N2 O32 Zr6 -","- C384 H168 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0949","0.0712","","","0.2327","0.2529","","","","","","1.07","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132916","18.9651","0.0006","33.3385","0.0012","33.5366","0.0013","90","","90","","90","","21204.1","1.3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C26.25 H16 N0.5 O8 Zr1.5 -","- C26.25 H14 N0.5 O8 Zr1.5 -","- C420 H224 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0571","0.0414","","","0.104","0.1063","","","","","","1.143","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132917","23.203","0.002","31.023","0.004","33.332","0.003","90","","90","","90","","23993","4","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C102 H52 N2 O32 Zr6 -","- C102 H52 N2 O32 Zr6 -","- C408 H208 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54178","CuKα","","0.1651","0.12","","","0.3001","0.3285","","","","","","1.056","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132918","23.1736","0.0006","31.635","0.0009","32.1726","0.0009","90","","90","","90","","23585.6","1.1","150","2","150.02","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C53 H27 N O16 Zr3 -","- C53 H27 N O16 Zr3 -","- C424 H216 N8 O128 Zr24 -","8","0.5","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0824","0.0687","","","0.1987","0.2101","","","","","","1.088","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132919","23.215","0.0008","30.6351","0.0011","33.548","0.0008","90","","90","","90","","23859.1","1.3","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C109 H64 N2 O32 Zr6 -","- C109 H60 N2 O32 Zr6 -","- C436 H240 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.1159","0.0787","","","0.2213","0.2429","","","","","","0.963","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132920","20.8534","0.0009","32.2081","0.0014","33.4473","0.0016","90","","90","","90","","22464.8","1.7","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C105 H54 N4 O32 Zr6 -","- C105 H54 N4 O32 Zr6 -","- C420 H216 N16 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.057","0.0484","","","0.1479","0.154","","","","","","1.111","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132921","21.4248","0.0007","31.7902","0.0011","33.5013","0.0011","90","","90","","90","","22817.7","1.3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C53.5 H30 N O16 Zr3 -","- C53.5 H28 N O16 Zr3 -","- C428 H224 N8 O128 Zr24 -","8","0.5","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0406","0.0332","","","0.0871","0.0881","","","","","","1.031","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132922","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C10 H5.5 N0 O4.5 Zr0.75 -","- C10 H5.5 O4.5 Zr0.75 -","- C160 H88 O72 Zr12 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0507","0.0452","","","0.1283","0.1308","","","","","","1.002","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132923","21.531","0.003","35.053","0.004","15.0898","0.0017","90","","90","","90","","11389","2","100","2","100","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C88 H44 O36 Zr6 -","- C88 H44 O36 Zr6 -","- C176 H88 O72 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","0.71073","MoKα","","0.0941","0.0758","","","0.2164","0.2316","","","","","","1.052","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132924","23.1272","0.0007","34.0179","0.001","15.0243","0.0005","90","","90","","90","","11820.2","0.6","100","2","100.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H24 O18 Zr3 -","- C50 H24 O18 Zr3 -","- C200 H96 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0829","0.0745","","","0.2034","0.2164","","","","","","1.087","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132925","23.1663","0.0006","34.0796","0.0008","14.9174","0.0004","90","","90","","90","","11777.3","0.5","100","2","100.01","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H30 O18 Zr3 -","- C54 H28 O18 Zr3 -","- C216 H112 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.08","0.0716","","","0.209","0.2177","","","","","","1.073","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132926","11.101","0.004","12.844","0.004","21.787","0.007","101.462","0.014","99.26","0.009","93.809","0.011","2989.2","1.7","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 O2 Zr -","- C71 H78 O2 Zr -","- C142 H156 O4 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.047","0.0396","","","0.099","0.103","","","","","","1.057","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132927","12.4092","0.0006","12.775","0.0008","20.5948","0.0017","93.281","0.003","103.293","0.004","99.373","0.003","3119.7","0.4","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C72.44 H93.74 O6.57 Zr -","- C72.437 H93.526 O6.563 Zr -","- C144.874 H187.052 O13.126 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.0671","0.0423","","","0.0902","0.0986","","","","","","1.038","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132928","12.35","0.002","12.845","0.002","27.404","0.004","78.961","0.007","80.374","0.005","63.052","0.012","3787.4","1.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C92.42 H96.49 O3 Zr -","- C92.422 H96.493 O3 Zr -","- C184.844 H192.986 O6 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.0749","0.0661","","","0.1712","0.1768","","","","","","1.147","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132929","23.2475","0.0004","22.7475","0.0004","28.3112","0.0005","90","","91.6402","0.0007","90","","14965.5","0.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H82 B3 Cl4 F72 Pd13 -","- C140 H82 B3 Cl4 F72 Pd13 -","- C560 H328 B12 Cl16 F288 Pd52 -","4","1","","Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.","Journal of the American Chemical Society","2018","140","40","12682","12686","10.1021/jacs.8b07430","","","0.71075","MoKα","","0.0646","0.0462","","","0.1275","0.1385","","","","","","1.099","","","","has coordinates","242790","2020-10-21","18:00:00",""
"4132930","23.2659","0.0007","18.4382","0.0005","24.9602","0.0007","90","","93.4714","0.0008","90","","10687.8","0.5","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C107 H64 B2 Cl2 F48 Pd13 -","- C106 H66 B2 F48 Pd13 -","- C424 H264 B8 F192 Pd52 -","4","0.5","","Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.","Journal of the American Chemical Society","2018","140","40","12682","12686","10.1021/jacs.8b07430","","","0.71075","MoKα","","0.1213","0.0944","","","0.2439","0.2669","","","","","","1.117","","","","has coordinates","242791","2020-10-21","18:00:00",""
"4132931","5.5448","0.0011","10.37","0.002","37.244","0.008","90","","90","","90","","2141.5","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N4 O3 S -","- C19 H16 Br F3 N4 O3 S -","- C76 H64 Br4 F12 N16 O12 S4 -","4","1","","Fu, Liang; Zhou, Song; Wan, Xiaolong; Chen, Pinhong; Liu, Guosheng","Enantioselective Trifluoromethylalkynylation of Alkenes via Copper-Catalyzed Radical Relay.","Journal of the American Chemical Society","2018","140","35","10965","10969","10.1021/jacs.8b07436","","","0.71073","MoKα","","0.112","0.0586","","","0.1472","0.1749","","","","","","1.014","","","","has coordinates","242792","2020-10-21","18:00:00",""
"4132932","16.4682","0.0014","12.3313","0.001","12.8238","0.001","90","","92.629","0.004","90","","2601.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 Fe N6 O8 -","- C22 H24 Cl2 Fe N6 O8 -","- C88 H96 Cl8 Fe4 N24 O32 -","4","1","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","0.71073","MoKα","","0.0969","0.0579","","","0.1247","0.1385","","","","","","1.035","","","","has coordinates,has disorder","242793","2020-10-21","18:00:00",""
"4132933","13.3863","0.0003","17.7438","0.0004","40.7345","0.0013","90","","90","","90","","9675.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(SBPy3)Zn(tpena)](ClO4)6(H2O)3","","","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C336 H360 Cl24 Fe8 N80 O124 Zn8 -","8","2","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","1.54184","CuKα","","0.0819","0.0765","","","0.184","0.1885","","","","","","1.059","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132934","9.9843","0.0007","12.6207","0.0007","16.1903","0.0017","90","","90","","90","","2040.1","0.3","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 Ga2 N2 O S7 Sb2 -","- C4 H18 Ga2 N2 O S7 Sb2 -","- C16 H72 Ga8 N8 O4 S28 Sb8 -","4","1","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.0652","0.0527","","","0.112","0.1182","","","","","","1.007","","","","has coordinates","242795","2020-10-21","18:00:00",""
"4132935","11.7107","0.0002","11.7107","0.0002","34.3827","0.0017","90","","90","","90","","4715.3","0.3","295","2","295","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H26 Ga2 N2 O S7 Sb2 -","- C8 H24 Ga2 N2 O S7 Sb2 -","- C64 H192 Ga16 N16 O8 S56 Sb16 -","8","0.5","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.1025","0.064","","","0.1264","0.1432","","","","","","1.01","","","","has coordinates,has disorder","242796","2020-10-21","18:00:00",""
"4132936","52.809","0.011","37.841","0.008","55.765","0.011","90","","107.03","0.03","90","","106551","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C840.6 H951.3 B264 Cd13 F6 N125.3 O56 Rh12 S2 -","- C816.6 H936.21 B276 Cd13 F6 N125.3 O56 Rh12 S2 -","- C3266.4 H3744.84 B1104 Cd52 F24 N501.2 O224 Rh48 S8 -","4","0.5","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","0.6889","Synchrotron","","0.1419","0.1161","","","0.3411","0.3745","","","","","","1.122","","","","has coordinates,has disorder","242797","2020-10-21","18:00:00",""
"4132937","37.6891","0.0015","37.6891","0.0015","37.6891","0.0015","90","","90","","90","","53536","4","180","2","180","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C600 H396 Cd12 F72 N84 O120 Rh12 S24 -","- C576 H396 Cd12 N84 O48 Rh12 -","- C1152 H792 Cd24 N168 O96 Rh24 -","2","0.0833333","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","1.54178","CuKα","","0.158","0.1231","","","0.3272","0.3559","","","","","","1.083","","","","has coordinates","242799","2020-10-21","18:00:00",""
"4132938","8.2945","0.0017","16.449","0.004","18.288","0.004","90","","90","","90","","2495.1","1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B N3 O3 S -","- C24 H34 B N3 O3 S -","- C96 H136 B4 N12 O12 S4 -","4","1","","Hayama, Noboru; Kuramoto, Ryuta; Földes, Tamás; Nishibayashi, Kazuya; Kobayashi, Yusuke; Pápai, Imre; Takemoto, Yoshiji","Mechanistic Insight into Asymmetric Hetero-Michael Addition of α,β-Unsaturated Carboxylic Acids Catalyzed by Multifunctional Thioureas.","Journal of the American Chemical Society","2018","140","38","12216","12225","10.1021/jacs.8b07511","","","1.54187","CuKα","","","0.0431","","","","0.1051","","","","","","2.021","","","","has coordinates","242801","2020-10-21","18:00:00",""
"4132939","19.161","0.003","34.02","0.005","14.927","0.002","90","","90","","90","","9730","2","230","","230","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 Mo6 O64.5 -","- C48 H56 Mo6 O64.5 -","- C192 H224 Mo24 O258 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","x-ray","0.71073","MoKα","","0.045","0.0401","","","0.1111","0.1144","","","","","","1.043","","","","has coordinates","242802","2020-10-21","18:00:00",""
"4132940","19.19","0.002","33.973","0.004","14.9308","0.0018","90","","90","","90","","9734","1.9","200","2","200","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 O72.5 W6 -","- C48 H56 O72.5 W6 -","- C192 H224 O290 W24 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","","0.71073","MoKα","","0.0387","0.0351","","","0.084","0.0863","","","","","","1.046","","","","has coordinates","242803","2020-10-21","18:00:00",""
"4132941","10.2116","0.0003","17.9533","0.0005","10.9656","0.0004","90","","110.432","0.004","90","","1883.87","0.11","105","7","105","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C88 H64 Br4 Cl4 O8 -","4","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0596","0.0487","","","0.1189","0.1239","","","","","","1.034","","","","has coordinates,has disorder","242804","2020-10-21","18:00:00",""
"4132942","8.9198","0.0001","14.4186","0.0001","29.7333","0.0002","90","","90","","90","","3824.03","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S)-1-(5-bromo-2-chlorophenyl)-2,2-diphenylcyclopropanecarboxylic acid","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C176 H128 Br8 Cl8 O16 -","8","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0253","0.0242","","","0.0618","0.0621","","","","","","1.057","","","","has coordinates,has disorder","242805","2020-10-21","18:00:00",""
"4132943","25.1525","0.0004","5.53398","0.00004","27.2474","0.0004","90","","117.465","0.0019","90","","3365.19","0.1","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C34 H42 F6 O4 -","- C34 H42 F6 O4 -","- C136 H168 F24 O16 -","4","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0412","0.0363","","","0.0853","0.0885","","","","","","0.985","","","","has coordinates","242806","2020-10-21","18:00:00",""
"4132944","21.469","0.0003","17.1974","0.0003","29.1637","0.0004","90","","106.965","0.002","90","","10299","0.3","100.3","0.5","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C364 H262 Br16 Cl16 N6 O34 Rh8 -","2","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0935","0.0813","","","0.2229","0.2353","","","","","","1.079","","","","has coordinates,has disorder","242807","2020-10-21","18:00:00",""
"4132945","20.4695","0.0006","20.4695","0.0006","19.2209","0.0008","90","","90","","90","","8053.6","0.5","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C88 H64 Br4 Cl4 O10 Rh2 -","- C88 H60 Br4 Cl4 O8 Rh2 -","- C352 H240 Br16 Cl16 O32 Rh8 -","4","0.5","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0938","0.0611","","","0.1166","0.1273","","","","","","1.027","","","","has coordinates","242808","2020-10-21","18:00:00",""
"4132946","12.2343","0.0005","21.2749","0.0008","13.2088","0.0005","90","","104.038","0.001","90","","3335.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Fe N3 O2 -","- C36 H48 Fe N3 O2 -","- C144 H192 Fe4 N12 O8 -","4","1","","Rummelt, Stephan M.; Zhong, Hongyu; Korobkov, Ilia; Chirik, Paul J.","Iron-Mediated Coupling of Carbon Dioxide and Ethylene: Macrocyclic Metallalactones Enable Access to Various Carboxylates.","Journal of the American Chemical Society","2018","140","37","11589","11593","10.1021/jacs.8b07558","","","0.71073","MoKα","","0.0556","0.0439","","","0.1111","0.1233","","","","","","1.08","","","","has coordinates","242809","2020-10-21","18:00:00",""
"4132947","5.761","0.0007","11.0868","0.0013","14.5326","0.0013","90","","94.069","0.007","90","","925.87","0.18","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.83 H12 Cu D2.48 N2 O4 -","- C20.8264 H12 Cu D2.4792 N2 O4 -","- C41.6528 H24 Cu2 D4.9584 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09475","","1.07","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132948","5.8065","0.0007","11.1456","0.0011","14.5188","0.0011","90","","94.423","0.007","90","","936.81","0.16","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.33 H12 Cu D3.99 N2 O4 -","- C21.3316 H12 Cu D3.9948 N2 O4 -","- C42.6632 H24 Cu2 D7.9896 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09004","","1.06","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132949","5.6951","0.0005","10.9729","0.0013","14.5655","0.0012","90","","93.64","0.007","90","","908.39","0.15","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.31 H12 Cu D0.62 N2 O4 -","- C20.308 H12 Cu D0.616 N2 O4 -","- C40.616 H24 Cu2 D1.232 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.07449","","0.99","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132950","5.6674","0.0005","10.9072","0.0012","14.5876","0.0011","90","","93.491","0.007","90","","900.07","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C40 H24 Cu2 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09172","","1","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132951","12.296","0.002","14.074","0.003","23.151","0.004","101.373","0.002","90.809","0.002","110.821","0.002","3655.7","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 Co2 N5 O23 Zn2 -","- C71 H73 Co2 N5 O23 Zn2 -","- C142 H146 Co4 N10 O46 Zn4 -","2","1","","Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu","Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.","Journal of the American Chemical Society","2018","140","42","13786","13792","10.1021/jacs.8b07577","","","0.71073","MoKα","","0.0876","0.064","","","0.1638","0.1877","","","","","","1.063","","","","has coordinates","242811","2020-10-21","18:00:00",""
"4132952","12.27","0.003","14.116","0.004","23.055","0.006","101.594","0.005","90.371","0.004","110.5","0.003","3651.1","1.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 N5 Ni2 O23 Zn2 -","- C71 H73 N5 Ni2 O23 Zn2 -","- C142 H146 N10 Ni4 O46 Zn4 -","2","1","","Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu","Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.","Journal of the American Chemical Society","2018","140","42","13786","13792","10.1021/jacs.8b07577","","","0.71073","MoKα","","0.1674","0.1063","","","0.2275","0.2647","","","","","","1.162","","","","has coordinates","242812","2020-10-21","18:00:00",""
"4132953","12.911","0.003","13.862","0.003","13.052","0.003","90","","112.921","0.002","90","","2151.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N3 O7 -","- C16 H19 Cu2 N3 O7 -","- C64 H76 Cu8 N12 O28 -","4","1","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.1264","0.1242","","","0.3139","0.3152","","","","","","1.149","","","","has coordinates","242813","2020-10-21","18:00:00",""
"4132954","11.684","0.001","12.866","0.0012","14.0116","0.0012","90","","90","","90","","2106.3","0.3","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Cl4 Cu5 N4 O9 -","- C24 H16 Cl4 Cu5 N4 O9 -","- C48 H32 Cl8 Cu10 N8 O18 -","2","0.25","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.0161","0.0157","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","242814","2020-10-21","18:00:00",""
"4132955","8.2576","0.0004","22.2625","0.001","17.3321","0.001","90","","90.025","0.004","90","","3186.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C144 H128 N16 O32 -","8","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1151","0.0744","","","0.1983","0.2287","","","","","","1.019","","","","has coordinates","242815","2020-10-21","18:00:00",""
"4132956","10.4958","0.0017","9.1991","0.0015","19.482","0.003","90","","97.6635","0.0019","90","","1864.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0635","0.05","","","0.1325","0.1477","","","","","","1.064","","","","has coordinates","242816","2020-10-21","18:00:00",""
"4132957","8.5136","0.0008","10.2478","0.001","17.2085","0.0017","90","","90.122","0.001","90","","1501.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0545","0.0404","","","0.1019","0.1133","","","","","","1.043","","","","has coordinates","242817","2020-10-21","18:00:00",""
"4132958","11.1866","0.0003","21.5051","0.0005","33.2328","0.0008","90","","90","","90","","7994.8","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C352 H384 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","242818","2020-10-21","18:00:00",""
"4132959","10.6043","0.0003","21.8901","0.0007","32.5434","0.0008","90","","90","","90","","7554.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C336 H352 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1536","0.0676","","","0.1474","0.1894","","","","","","0.996","","","","has coordinates","242819","2020-10-21","18:00:00",""
"4132960","9.4897","0.0015","9.7609","0.0015","11.1738","0.0017","104.546","0.002","101.764","0.002","96.889","0.002","964.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0844","0.0465","","","0.1072","0.1272","","","","","","1.032","","","","has coordinates","242820","2020-10-21","18:00:00",""
"4132961","12.418","0.006","8.669","0.004","16.915","0.008","90","","105.261","0.005","90","","1756.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0563","0.0426","","","0.1095","0.1224","","","","","","1.036","","","","has coordinates","242821","2020-10-21","18:00:00",""
"4132962","18.041","0.003","8.9247","0.0017","21.595","0.004","90","","90","","90","","3477","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.1091","0.0577","","","0.1367","0.1657","","","","","","1.016","","","","has coordinates,has disorder","242822","2020-10-21","18:00:00",""
"4132963","15.4635","0.0004","4.98269","0.00012","23.2124","0.0006","90","","103.774","0.003","90","","1737.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","x-ray","1.54184","CuKα","","0.0914","0.0699","","","0.175","0.1932","","","","","","1.03","","","","has coordinates,has disorder","242823","2020-10-21","18:00:00",""
"4132964","11.122","0.0001","11.03","0.0001","16.3913","0.0002","90","","102.894","0.0005","90","","1960.11","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0457","0.0404","","","0.103","0.1073","","","","","","1.044","","","","has coordinates","242824","2020-10-21","18:00:00",""
"4132965","21.8904","0.0004","22.987","0.0004","6.9137","0.0001","90","","90","","90","","3478.94","0.1","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19.25 H18.75 N2 O4.125 -","- C19.25 H18.75 N2 O4.125 -","- C154 H150 N16 O33 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0679","0.0552","","","0.1633","0.1734","","","","","","1.084","","","","has coordinates","242825","2020-10-21","18:00:00",""
"4132966","9.7573","0.0007","11.8897","0.0008","16.0751","0.0011","82.4","0.002","79.506","0.003","81.035","0.002","1800.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.44 H28 Cl1.34 D0.44 F3 N O4 -","- C46.4468 H28 Cl1.3404 D0.4468 F3 N O4 -","- C92.8936 H56 Cl2.6808 D0.8936 F6 N2 O8 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0565","0.0485","","","0.1213","0.126","","","","","","1.064","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132967","10.015","0.0005","11.8686","0.0005","16.0169","0.0008","85.793","0.002","82.542","0.002","81.689","0.002","1865.01","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H28 Br0.5 D2.5 F3 N O3 S -","- C49 H28 Br0.5 D2.5 F3 N O3 S -","- C98 H56 Br D5 F6 N2 O6 S2 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0649","0.0453","","","0.0986","0.1069","","","","","","1.034","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132968","11.3616","0.0011","11.9741","0.0011","16.8141","0.0015","110.535","0.003","97.936","0.003","94.658","0.003","2100.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 Cl2 N O3 S2 -","- C53 H37 Cl2 N O3 S2 -","- C106 H74 Cl4 N2 O6 S4 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0525","0.0444","","","0.1052","0.1102","","","","","","1.024","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132969","11.3098","0.001","18.9055","0.0013","19.3753","0.0015","90","","100.184","0.003","90","","4077.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H33 N O4 S2 -","- C44 H33 N O4 S2 -","- C176 H132 N4 O16 S8 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0681","0.0637","","","0.1449","0.1468","","","","","","1.233","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132970","11.0741","0.0008","18.618","0.0011","19.0103","0.0013","90","","94.754","0.002","90","","3906","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H33 N O3 S2 -","- C53 H33 N O3 S2 -","- C212 H132 N4 O12 S8 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0472","0.0407","","","0.0925","0.0959","","","","","","1.061","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132971","36.371","0.003","36.371","0.003","9.5002","0.0006","90","","90","","120","","10883.6","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C594 H414 N18 O36 S18 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0726","0.0576","","","0.1355","0.1432","","","","","","1.072","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132972","36.213","0.002","36.213","0.002","9.4339","0.0006","90","","90","","120","","10714","1.1","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C594 H414 N18 O54 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.1172","0.0691","","","0.1514","0.1721","","","","","","1.053","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132973","10.8932","0.0006","11.5571","0.0006","17.0474","0.0009","78.371","0.001","72.486","0.001","63.695","0.001","1828.89","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H33 N O5 -","- C53 H33 N O5 -","- C106 H66 N2 O10 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","","0.71073","MoKα","","0.0497","0.0413","","","0.1","0.1053","","","","","","1.021","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132974","15.8387","0.0008","24.154","0.0012","10.684","0.0005","90","","102.962","0.002","90","","3983.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.81 H30.81 Cl5.44 N O5 -","- C44.8126 H30.8126 Cl5.4378 N O5 -","- C179.25 H123.25 Cl21.7512 N4 O20 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0458","0.0402","","","0.0934","0.097","","","","","","1.037","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132975","9.9146","0.0006","17.8444","0.0012","12.4027","0.0008","90","","109.094","0.001","90","","2073.6","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(PEt3)Ni(mu2-O,O-tBuCOO)2]2","","- C32 H66 Ni2 O8 P2 -","- C32 H66 Ni2 O8 P2 -","- C64 H132 Ni4 O16 P4 -","2","0.5","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.0375","0.0256","","","0.0599","0.063","","","","","","1.008","","","","has coordinates,has disorder","242827","2020-10-21","18:00:00",""
"4132976","10.7609","0.0005","16.9421","0.0007","28.0175","0.0013","90","","99.602","0.001","90","","5036.4","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H38 N3 Ni O P -","- C26.5 H38 N3 Ni O P -","- C212 H304 N24 Ni8 O8 P8 -","8","2","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","x-ray","0.71073","MoKα","","0.079","0.0532","","","0.0954","0.1062","","","","","","1.103","","","","has coordinates","242828","2020-10-21","18:00:00",""
"4132977","27.062","0.002","27.062","0.002","10.3516","0.0011","90","","90","","120","","6565.4","1","90","","90","","","","","","","","","4","R -3 :H","-R 3","148","","(Cy)(Me)N(C=O)N(H)(quinolin-8-yl)","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C306 H378 N54 O18 -","18","1","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.045","0.0355","","","0.0867","0.0901","","","","","","1.043","","","","has coordinates","242829","2020-10-21","18:00:00",""
"4132978","39.581","0.006","8.9068","0.0018","8.9084","0.0013","90","","90.047","","90","","3140.6","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H30 I7 N3 Pb2 -","- C10 H30 I7 N3 Pb2 -","- C40 H120 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1168","0.0577","","","0.091","0.0981","","","","1.94","1.94","1.53","","","","has coordinates","242830","2020-10-21","18:00:00",""
"4132979","26.918","0.003","8.7853","0.0007","8.7627","0.0009","90","","92.835","0.009","90","","2069.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H24 I4 N2 Pb -","- C9 H24 I4 N2 Pb -","- C36 H96 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.0434","0.0367","","","0.0721","0.0729","","","","2.17","2.17","2.07","","","","has coordinates","242831","2020-10-21","18:00:00",""
"4132980","38.089","0.005","8.9053","0.0018","8.9109","0.0013","90","","90","0.012","90","","3022.5","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H28 I7 N3 Pb2 -","- C9 H28 I7 N3 Pb2 -","- C36 H112 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1536","0.0647","","","0.1187","0.1267","","","","2.06","2.06","1.41","","","","has coordinates","242832","2020-10-21","18:00:00",""
"4132981","25.686","0.005","8.9106","0.0013","8.9159","0.0013","90","","100.024","0.0015","90","","2009.5","0.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I10 N4 Pb3 -","- C10 H34 I10 N4 Pb3 -","- C20 H68 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1204","0.0836","","","0.165","0.1705","","","","3.71","3.71","2.98","","","","has coordinates","242833","2020-10-21","18:00:00",""
"4132982","26.4807","0.0009","8.915","0.007","8.9145","0.0008","90","","99.6902","","90","","2074.5","1.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H36 I10 N4 Pb3 -","- C11 H36 I10 N4 Pb3 -","- C22 H72 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.081","0.048","","","0.0854","0.0904","","","","1.97","1.97","1.66","","","","has coordinates","242834","2020-10-21","18:00:00",""
"4132983","63.186","0.006","8.9126","0.0005","8.9043","0.0008","90","","90.015","0.008","90","","5014.5","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H40 I13 N5 Pb4 -","- C11 H40 I13 N5 Pb4 -","- C44 H160 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1995","0.1224","","","0.2598","0.2744","","","","5.39","5.39","3.8","","","","has coordinates","242835","2020-10-21","18:00:00",""
"4132984","20.1544","0.0003","17.4378","0.0003","8.4225","0.0001","90","","98.0107","0.0008","90","","2931.19","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 B2 Br Co N9 -","- C31 H29 B2 Br Co N9 -","- C124 H116 B8 Br4 Co4 N36 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0378","0.0332","","","0.0895","0.0927","","","","","","0.964","","","","has coordinates","242836","2020-10-21","18:00:00",""
"4132985","17.3684","0.0003","32.2134","0.0005","17.9799","0.0003","90","","92.556","0.001","90","","10049.7","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 B2 Co F6 N10 O5 S2 -","- C33 H31 B2 Co F6 N10 O5 S2 -","- C264 H248 B16 Co8 F48 N80 O40 S16 -","8","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.051","0.0434","","","0.1124","0.1161","","","","","","0.976","","","","has coordinates,has disorder","242837","2020-10-21","18:00:00",""
"4132986","8.1792","0.0011","19.504","0.003","18.065","0.003","90","","90","","90","","2881.9","0.8","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 Co N9 -","- C31 H29 B2 Co N9 -","- C124 H116 B8 Co4 N36 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0414","0.037","","","0.0993","0.1035","","","","","","1.164","","","","has coordinates","242838","2020-10-21","18:00:00",""
"4132987","12.8849","0.0002","18.1277","0.0003","15.838","0.0003","90","","90.622","0.001","90","","3699.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B4 Li2 N18 -","- C62 H58 B4 Li4 N18 -","- C124 H116 B8 Li8 N36 -","2","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1149","0.0903","","","0.2724","0.3038","","","","","","1.046","","","","has coordinates,has disorder","242839","2020-10-21","18:00:00",""
"4132988","13.6686","0.0008","15.0534","0.0008","18.3053","0.001","89.947","0.004","77.865","0.003","86.508","0.003","3675.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H58 B4 Co2 N18 O2 -","- C62 H58 B4 Co2 N18 O2 -","- C124 H116 B8 Co4 N36 O4 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0783","0.0608","","","0.1576","0.1771","","","","","","1.045","","","","has coordinates","242840","2020-10-21","18:00:00",""
"4132989","23.5774","0.0017","14.5959","0.0008","41.157","0.003","90","","90","","90","","14163.5","1.6","173","","173","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C576 H512 B16 Co8 F48 N80 O56 P16 S16 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1209","0.0872","","","0.2276","0.2676","","","","","","0.979","","","","has coordinates,has disorder","242841","2020-10-21","18:00:00",""
"4132990","11.8764","0.0002","12.0398","0.0002","21.6388","0.0004","82.92","0.001","88.996","0.001","75.524","0.001","2972.76","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H77 B2 Br2 Co Li2 N9 O6 -","- C55 H77 B2 Br2 Co Li2 N9 O6 -","- C110 H154 B4 Br4 Co2 Li4 N18 O12 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0449","0.0434","","","0.1249","0.1265","","","","","","1.048","","","","has coordinates","242842","2020-10-21","18:00:00",""
"4132991","11.4399","0.0008","12.8145","0.0007","15.6046","0.0011","66.021","0.004","70.673","0.003","82.425","0.004","1972.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H29 B2 Co F6 N10 O4 S2 -","- C33 H29 B2 Co F6 N10 O4 S2 -","- C66 H58 B4 Co2 F12 N20 O8 S4 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","0.71073","MoKα","","0.1112","0.0793","","","0.1468","0.1604","","","","","","1.068","","","","has coordinates","242843","2020-10-21","18:00:00",""
"4132992","7.9741","0.0006","12.0163","0.0009","14.0689","0.0011","76.587","0.001","77.576","0.001","80.26","0.001","1270.46","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(5-fp)RhTFA","","","- C24 H18 F3 N4 O2 Rh -","- C24 H18 F3 N4 O2 Rh -","- C48 H36 F6 N8 O4 Rh2 -","2","1","","Chen, Junqi; Nielsen, Robert J.; Goddard, 3rd, William A; McKeown, Bradley A.; Dickie, Diane A.; Gunnoe, T. Brent","Catalytic Synthesis of Superlinear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a ""Capping Arene"" Ligand: Access to Aerobic Catalysis.","Journal of the American Chemical Society","2018","140","49","17007","17018","10.1021/jacs.8b07728","","","0.71073","MoKα","","0.0514","0.0377","","","0.0907","0.0964","","","","","","1.04","","","","has coordinates","242844","2020-10-21","18:00:00",""
"4132993","14.8756","0.0005","17.3356","0.0005","18.8823","0.0005","84.622","0.002","73.131","0.003","77.478","0.002","4546.5","0.2","105","","105","","","","","","","","","5","P -1","-P 1","2","","PyPbCl_HCN","","- C65 H143 Cl15 N8 Pb4 -","- C65 H143 Cl15 N8 Pb4 -","- C130 H286 Cl30 N16 Pb8 -","2","1","","Zhou, Chenkun; Lin, Haoran; Worku, Michael; Neu, Jennifer; Zhou, Yan; Tian, Yu; Lee, Sujin; Djurovich, Peter; Siegrist, Theo; Ma, Biwu","Blue Emitting Single Crystalline Assembly of Metal Halide Clusters.","Journal of the American Chemical Society","2018","140","41","13181","13184","10.1021/jacs.8b07731","","","0.71073","MoKα","","0.0832","0.07","","0.1952","0.1752","0.1817","","","","","","0.9946","","","","has coordinates","242845","2020-10-21","18:00:00",""
"4132994","10.049","0.004","15.976","0.007","18.86","0.008","90","","90","","90","","3028","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F6 Mn N5 O8 S2 -","- C25 H22 F6 Mn N5 O8 S2 -","- C100 H88 F24 Mn4 N20 O32 S8 -","4","1","","Sankaralingam, Muniyandi; Lee, Yong-Min; Karmalkar, Deepika G.; Nam, Wonwoo; Fukuzumi, Shunichi","A Mononuclear Non-heme Manganese(III)-Aqua Complex as a New Active Oxidant in Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2018","140","40","12695","12699","10.1021/jacs.8b07772","","","0.71073","MoKα","","0.0366","0.032","","","0.0697","0.0716","","","","","","1.027","","","","has coordinates","242846","2020-10-21","18:00:00",""
"4132995","42.0383","0.0012","42.0383","0.0012","42.3916","0.0014","90","","90","","120","","64878","3","100","2","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Mn24 O96 -","- C288 H312 Mn24 O96 -","- C1728 H1872 Mn144 O576 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","","1.54178","CuKα","","0.1634","0.1393","","","0.3894","0.458","","","","","","2.179","","","","has coordinates,has disorder","242847","2020-10-21","18:00:00",""
"4132996","42.319","0.0008","42.319","0.0008","43.0661","0.0013","90","","90","","120","","66794","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Cl8 Mn24 O102 -","- C288 H312 Cl8 Mn24 O102 -","- C1728 H1872 Cl48 Mn144 O612 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","x-ray","1.54178","CuKα","","0.2219","0.1329","","","0.348","0.4024","","","","","","1.238","","","","has coordinates","242848","2020-10-21","18:00:00",""
"4132997","14.594","0.004","15.377","0.004","15.584","0.004","93.674","0.001","117.541","0.001","117.376","0.003","2578","1.2","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C104 H70 N12 -","- C104 H70 N12 -","- C104 H70 N12 -","1","0.5","","Tang, Jian-Hong; Cai, Zhenfeng; Yan, Dong; Tang, Kun; Shao, Jiang-Yang; Zhan, Chuanlang; Wang, Dong; Zhong, Yu-Wu; Wan, Li-Jun; Yao, Jiannian","Molecular Quadripod as a Noncovalent Interfacial Coupling Reagent for Forming Immobilized Coordination Assemblies.","Journal of the American Chemical Society","2018","140","39","12337","12340","10.1021/jacs.8b07777","","","0.71073","MoKα","","0.1201","0.1058","","","0.2978","0.3107","","","","","","1.141","","","","has coordinates","242849","2020-10-21","18:00:00",""
"4132998","6.587","0.002","9.123","0.003","11.052","0.004","76.48","0.03","77.86","0.03","74.261","0.019","613.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B N2 Se2 -","- C9 H17 B N2 Se2 -","- C18 H34 B2 N4 Se4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0241","0.0217","","","0.0551","0.0563","","","","","","1.057","","","","has coordinates","242850","2020-10-21","18:00:00",""
"4132999","9.051","0.0013","9.9167","0.0012","21.724","0.004","90","","90.139","0.007","90","","1949.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Mn N2 O2 Te2 -","- C16 H22 B Mn N2 O2 Te2 -","- C64 H88 B4 Mn4 N8 O8 Te8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0168","0.0166","","","0.0382","0.0383","","","","","","1.197","","","","has coordinates","242851","2020-10-21","18:00:00",""
"4133000","12.364","0.003","7.522","0.003","12.85","0.003","90","","109.438","0.01","90","","1127","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B N2 S -","- C9 H17 B N2 S -","- C36 H68 B4 N8 S4 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0459","0.0394","","","0.1053","0.1105","","","","","","1.056","","","","has coordinates","242853","2020-10-21","18:00:00",""
"4133001","8.085","0.002","8.208","0.003","9.845","0.003","108.77","0.02","100.22","0.02","108.1","0.02","559.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 N4 Se2 -","- C18 H34 B2 N4 Se2 -","- C18 H34 B2 N4 Se2 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0549","0.0526","","","0.1699","0.1708","","","","","","1.483","","","","has coordinates","242854","2020-10-21","18:00:00",""
"4133002","12.404","0.007","7.679","0.004","12.8","0.007","90","","108.23","0.04","90","","1158","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B N2 Se -","- C9 H17 B N2 Se -","- C36 H68 B4 N8 Se4 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0559","0.037","","","0.081","0.0877","","","","","","1.031","","","","has coordinates","242855","2020-10-21","18:00:00",""
"4133003","8.0243","0.002","8.053","0.003","9.721","0.004","105.103","0.009","104.95","0.02","106.457","0.018","543","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 N4 S2 -","- C18 H34 B2 N4 S2 -","- C18 H34 B2 N4 S2 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0431","0.0387","","","0.0904","0.0928","","","","","","1.173","","","","has coordinates","242856","2020-10-21","18:00:00",""
"4133004","6.4382","0.002","9.07","0.003","10.891","0.003","75.737","0.008","77.099","0.008","74.734","0.019","586","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B N2 S2 -","- C9 H17 B N2 S2 -","- C18 H34 B2 N4 S4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0306","0.0275","","","0.0664","0.0681","","","","","","1.069","","","","has coordinates","242857","2020-10-21","18:00:00",""
"4133005","26.4448","0.0019","26.4448","0.0019","34.036","0.003","90","","90","","90","","23802","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C187 H633 Br12 Gd60 N15 O399 -","- C32 H36 Br12 Gd60 O224 -","- C64 H72 Br24 Gd120 O448 -","2","0.125","","Luo, Xi-Ming; Hu, Zhao-Bo; Lin, Qing-Fang; Cheng, Weiwei; Cao, Jia-Peng; Cui, Chen-Hui; Mei, Hua; Song, You; Xu, Yan","Exploring the Performance Improvement of Magnetocaloric Effect Based Gd-Exclusive Cluster Gd<sub>60</sub>.","Journal of the American Chemical Society","2018","140","36","11219","11222","10.1021/jacs.8b07841","","","0.71073","MoKα","","0.1625","0.098","","","0.2788","0.3201","","","","","","1.108","","","","has coordinates,has disorder","242858","2020-10-21","18:00:00",""
"4133006","11.9001","0.0005","12.2874","0.0006","15.746","0.0007","68.156","0.003","80.248","0.003","72.507","0.003","2033.95","0.17","170","2","170.01","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 B11 N O2 -","- C40 H52 B11 N O2 -","- C80 H104 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.1179","0.073","","","0.1909","0.2215","","","","","","1.042","","","","has coordinates","242859","2020-10-21","18:00:00",""
"4133007","8.7528","0.0001","9.9635","0.0002","24.541","0.0004","90","","96.176","0.001","90","","2127.76","0.06","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B11 N3 O2 Pd -","- C9 H26 B11 N3 O2 Pd -","- C36 H104 B44 N12 O8 Pd4 -","4","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0357","0.0322","","","0.0849","0.0876","","","","","","1.087","","","","has coordinates","242860","2020-10-21","18:00:00",""
"4133008","18.1297","0.0009","12.7407","0.0006","23.8742","0.0013","90","","106.874","0.005","90","","5277.2","0.5","120.2","","120.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.09 H76.48 B11 N O4 -","- C52.1 H76.5 B11 N O4 -","- C208.4 H306 B44 N4 O16 -","4","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1069","0.0735","","","0.1872","0.2167","","","","","","1.034","","","","has coordinates,has disorder","242861","2020-10-21","18:00:00",""
"4133009","14.629","0.0005","14.9866","0.0005","22.4078","0.0007","90","","90","","90","","4912.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H86 B22 Cl22 N2 -","- C79 H86 B22 Cl22 N2 -","- C158 H172 B44 Cl44 N4 -","2","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0712","0.0609","","","0.16","0.1712","","","","","","1.062","","","","has coordinates,has disorder","242862","2020-10-21","18:00:00",""
"4133010","7.236","0.0003","26.5714","0.0013","26.8768","0.0009","90","","90","","90","","5167.6","0.4","137.1","","137.1","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C45 H59 B11 Br5 N O2 -","- C45 H59 B11 Br5 N O2 -","- C180 H236 B44 Br20 N4 O8 -","4","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0998","0.0835","","","0.1537","0.16","","","","","","1.184","","","","has coordinates,has disorder","242863","2020-10-21","18:00:00",""
"4133011","11.4673","0.0002","16.6842","0.0003","12.3236","0.0002","90","","110.724","0.001","90","","2205.23","0.07","170","2","170.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H62 B11 N O2 -","- C45 H62 B11 N O2 -","- C90 H124 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0433","0.0425","","","0.1108","0.1119","","","","","","1.053","","","","has coordinates","242864","2020-10-21","18:00:00",""
"4133012","23.6242","0.0015","19.1081","0.0009","22.3852","0.001","90","","90","","90","","10105","0.9","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H64 B11 N O7 -","- C46 H64 B11 N O7 -","- C368 H512 B88 N8 O56 -","8","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1287","0.0796","","","0.2146","0.2654","","","","","","1.043","","","","has coordinates,has disorder","242865","2020-10-21","18:00:00",""
"4133013","6.9848","0.0008","14.498","0.001","8.2571","0.0007","90","","90","","90","","836.16","0.13","100","0.1","100","0.1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C16 H15 N3 O6 U -","- C16 H14.5 N3 O6 U -","- C32 H29 N6 O12 U2 -","2","0.25","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.1024","0.1015","","","0.2511","0.2591","","","","","","1.17","","","","has coordinates,has disorder","242866","2020-10-21","18:00:00",""
"4133014","14.332","0.0005","20.4637","0.0007","18.2836","0.0005","90","","90","","90","","5362.3","0.3","140","0.1","140","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H65 Co N7 O6 U -","- C56 H65 Co N7 O6 U -","- C224 H260 Co4 N28 O24 U4 -","4","0.5","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.091","0.0856","","","0.219","0.2229","","","","","","1.055","","","","has coordinates,has disorder","242867","2020-10-21","18:00:00",""
"4133015","12.6577","0.0003","23.5758","0.0004","15.4346","0.0003","90","","107.908","0.002","90","","4382.77","0.16","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 K N5 O12 U -","- C34 H51 K N5 O12 U -","- C136 H204 K4 N20 O48 U4 -","4","1","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","0.71073","MoKα","","0.0501","0.0319","","","0.0594","0.0643","","","","","","1.018","","","","has coordinates","242868","2020-10-21","18:00:00",""
"4133016","6.8944","0.0008","11.1491","0.0012","14.7213","0.0015","67.959","0.007","81.512","0.01","82.702","0.01","1034.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 D10 N3 O11 U -","- C16 H15 D10 N3 O11 U -","- C32 H30 D20 N6 O22 U2 -","2","1","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","","0.71073","MoKα","","0.0474","0.0372","","","0.0801","0.0856","","","","","","1.077","","","","has coordinates","242869","2020-10-21","18:00:00",""
"4133017","10.3525","0.0003","19.8443","0.0005","19.8538","0.0005","84.793","0.002","78.643","0.002","77.371","0.002","3897.26","0.18","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 O8 U -","- C32 H30 N6 O8 U -","- C128 H120 N24 O32 U4 -","4","2","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.0639","0.0623","","","0.1638","0.1656","","","","","","1.042","","","","has coordinates","242870","2020-10-21","18:00:00",""
"4133018","15.1318","0.0015","9.1148","0.001","4.2826","0.0005","90","","110.435","0.003","90","","553.5","0.1","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C6 Ag5 S6 -","- C6 Ag5 S6 -","- C12 Ag10 S12 -","2","0.25","","Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang; Xu, Wei; Zhu, Daoben","Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver-Sulfur Networks.","Journal of the American Chemical Society","2018","140","45","15153","15156","10.1021/jacs.8b07921","powder diffraction","x-ray","1.54051","CuKα","","0.0597","0.0597","","0.0813","0.0813","","","","5.71","","","","","","","has coordinates","242871","2020-10-21","18:00:00",""
"4133019","7.1834","0.0001","11.0051","0.0002","21.1383","0.0003","90","","97.142","0.001","90","","1658.1","0.04","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H58 O3 Si -","- C34 H58 O3 Si -","- C68 H116 O6 Si2 -","2","1","","Zhang, Hai-Jun; Yin, Liang","Asymmetric Synthesis of α,β-Unsaturated δ-Lactones through Copper(I)-Catalyzed Direct Vinylogous Aldol Reaction.","Journal of the American Chemical Society","2018","140","38","12270","12279","10.1021/jacs.8b07929","","","1.34139","GaKα","","0.0527","0.0426","","","0.0894","0.0956","","","","","","1.087","","","","has coordinates","242872","2020-10-21","18:00:00",""
"4133020","18.1823","0.0004","15.6106","0.0002","17.709","0.0004","90","","117.612","0.003","90","","4453.98","0.19","291.8","0.1","291.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 B Cl3 F2 N5 -","- C51 H47 B Cl3 F2 N5 -","- C204 H188 B4 Cl12 F8 N20 -","4","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0883","0.0732","","","0.198","0.21","","","","","","1.051","","","","has coordinates","242873","2020-10-21","18:00:00",""
"4133021","12.02532","0.00019","16.4219","0.0002","43.1429","0.0005","90","","95.3076","0.0013","90","","8483.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H49 N5 -","- C53.5 H49 N5 -","- C428 H392 N40 -","8","2","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0559","0.0509","","","0.1296","0.1331","","","","","","1.055","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133022","18.2483","0.0003","15.01136","0.00014","18.489","0.0004","90","","119.446","0.003","90","","4410.46","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H45 B Cl3 F2 N5 -","- C51 H45 B Cl3 F2 N5 -","- C204 H180 B4 Cl12 F8 N20 -","4","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0539","0.0504","","","0.129","0.1313","","","","","","1.066","","","","has coordinates","242875","2020-10-21","18:00:00",""
"4133023","29.5594","0.0009","11.4252","0.0002","32.9221","0.0008","90","","90","","90","","11118.5","0.5","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H48 B Cl3 Cu F2 N5 O -","- C63 H48 B Cl3 Cu F2 N5 O -","- C504 H384 B8 Cl24 Cu8 F16 N40 O8 -","8","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","","1.54184","CuKα","","0.1055","0.098","","","0.2528","0.2586","","","","","","1.128","","","","has coordinates,has disorder","242876","2020-10-21","18:00:00",""
"4133024","16.6605","0.0006","12.2075","0.0003","11.3131","0.0004","90","","95.0619","0.0013","90","","2291.92","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 B4 N6 -","- C20 H34 B4 N6 -","- C80 H136 B16 N24 -","4","0.5","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.0979","0.063","","","0.1221","0.1404","","","","","","1.093","","","","has coordinates","242877","2020-10-21","18:00:00",""
"4133025","16.2795","0.0004","17.1593","0.0004","22.3276","0.0006","90.0344","0.0018","90.0987","0.0017","106.28","0.0017","5987","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H188 B8 K4 N12 O21 -","- C100 H188 B8 K4 N12 O21 -","- C200 H376 B16 K8 N24 O42 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.1127","0.0864","","","0.2104","0.2412","","","","","","1.045","","","","has coordinates,has disorder","242878","2020-10-21","18:00:00",""
"4133026","11.4106","0.0002","26.175","0.0006","13.0678","0.0003","90","","101.516","0.0014","90","","3824.42","0.14","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H122 B4 K2 N6 O17 -","- C64 H122 B4 K2 N6 O17 -","- C128 H244 B8 K4 N12 O34 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.0748","0.0665","","","0.157","0.1633","","","","","","1.006","","","","has coordinates,has disorder","242879","2020-10-21","18:00:00",""
"4133027","10.4493","0.0003","17.1573","0.0005","14.9166","0.0005","90","","106.791","0.0012","90","","2560.25","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H80 B4 K2 N6 O8 -","- C42 H80 B4 K2 N6 O8 -","- C84 H160 B8 K4 N12 O16 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.1015","0.0607","","","0.1216","0.1439","","","","","","1.037","","","","has coordinates","242880","2020-10-21","18:00:00",""
"4133028","39.258","0.005","39.258","0.005","39.258","0.005","90","","90","","90","","60504","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600.096 H320.16 N54 O24 Zn6 -","- C1200.19 H640.32 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.148","0.1302","","","0.3819","0.4051","","","","","","1.579","","","","has coordinates,has disorder","242881","2020-10-21","18:00:00",""
"4133029","40.05","0.006","40.05","0.006","37.745","0.008","90","","90","","90","","60543","18","100","2","100.15","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C592 H656 N52 O26 Zn6 -","- C587.998 H592 N52 O26 Zn6 -","- C1176 H1184 N104 O52 Zn12 -","2","0.125","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.66","synchrotron","","0.1931","0.1199","","","0.3525","0.3809","","","","","","0.994","","","","has coordinates","242882","2020-10-21","18:00:00",""
"4133030","38.945","0.005","38.945","0.005","38.945","0.005","90","","90","","90","","59068","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C588 H654 N54 O24 Zn6 -","- C575.904 H216 N54 O24 Zn6 -","- C1151.81 H432 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.8","synchrotron","","0.1419","0.1291","","","0.3872","0.4072","","","","","","1.708","","","","has coordinates,has disorder","242883","2020-10-21","18:00:00",""
"4133031","39.074","0.005","39.074","0.005","39.074","0.005","90","","90","","90","","59657","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C606 H672 N54 O30 Zn6 -","- C606 H216 N54 O30 Zn6 -","- C1212 H432 N108 O60 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.151","0.139","","","0.3894","0.4095","","","","","","1.779","","","","has coordinates,has disorder","242884","2020-10-21","18:00:00",""
"4133032","13.5493","0.0016","13.5493","0.0016","9.484","0.003","90","","90","","120","","1507.8","0.5","10","2","10","2","","","","","","","","6","P 3","P 3","143","","","","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","0.71073","MoKα","","0.152","0.0715","","","0.1912","0.2391","","","","","","1.086","","","","has coordinates","242885","2020-10-21","18:00:00",""
"4133033","13.616","0.002","13.616","0.002","9.43","0.004","90","","90","","120","","1514.1","0.7","150.01","0.1","150.01","0.1","","","","","","","","6","P 3","P 3","143","","","","- C22 H67 Cl3 Fe2 N9 O41 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","1.54184","CuKα","","0.063","0.0396","","","0.1135","0.1258","","","","","","0.87","","","","has coordinates","242886","2020-10-21","18:00:00",""
"4133034","11.0154","0.0002","17.1376","0.0004","19.6952","0.0004","100.319","0.001","106.005","0.001","91.226","0.001","3506.22","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H72 F4 N4 O4 -","- C88 H72 F4 N4 O4 -","- C176 H144 F8 N8 O8 -","2","1","","Schwarz, J. Luca; Schäfers, Felix; Tlahuext-Aca, Adrian; Lückemeier, Lukas; Glorius, Frank","Diastereoselective Allylation of Aldehydes by Dual Photoredox and Chromium Catalysis.","Journal of the American Chemical Society","2018","140","40","12705","12709","10.1021/jacs.8b08052","","","1.54178","CuKα","","0.0727","0.05","","","0.1064","0.1166","","","","","","1.049","","","","has coordinates,has disorder","242887","2020-10-21","18:00:00",""
"4133035","10.827","0.0003","11.5685","0.0003","21.0508","0.0005","90","","90","","90","","2636.66","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","2","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0272","0.0261","","","0.0653","0.0661","","","","","","1.057","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133036","7.6815","0.0002","10.626","0.0003","22.9383","0.0006","90","","90","","90","","1872.31","0.09","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0316","0.0291","","","0.0712","0.0734","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133037","7.6714","0.0003","10.6397","0.0004","22.9376","0.0008","90","","90","","90","","1872.2","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0284","0.0273","","","0.0679","0.0692","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133038","7.8914","0.0001","14.9048","0.0003","16.1601","0.0003","90","","90","","90","","1900.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0331","0.0301","","","0.0729","0.0749","","","","","","1.054","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133039","7.8906","0.0003","14.9107","0.0004","16.1614","0.0005","90","","90","","90","","1901.46","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","x-ray","1.54178","CuKα","K-L~3~","0.0289","0.0278","","","0.0692","0.0701","","","","","","1.07","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133040","23.3289","0.0006","7.9711","0.0002","10.6124","0.0003","90","","110.47","0.001","90","","1848.84","0.09","100","","100.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0273","0.027","","","0.0696","0.07","","","","","","1.06","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133041","23.322","0.0006","7.9725","0.0002","10.6113","0.0003","90","","110.411","0.001","90","","1849.13","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0279","0.0273","","","0.0701","0.0706","","","","","","1.072","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133042","8.4372","0.0004","9.7417","0.0005","17.5976","0.0008","103.786","0.003","103.714","0.003","91.567","0.003","1359.28","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 F24 N4 O2.25 P4 -","- C50 H43.9996 F24 N4 O2.25 P4 -","- C50 H43.9996 F24 N4 O2.25 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Nelson, Jordan N.; Young, Ryan M.; Krzyaniak, Matthew D.; Wasielewski, Michael R.","Covalent Radical Pairs as Spin Qubits: Influence of Rapid Electron Motion between Two Equivalent Sites on Spin Coherence.","Journal of the American Chemical Society","2018","140","40","13011","13021","10.1021/jacs.8b08105","","","1.54178","CuKα","","0.0804","0.0675","","","0.1869","0.1989","","","","","","1.027","","","","has coordinates,has disorder","242889","2020-10-21","18:00:00",""
"4133043","7.103","0.0014","7.171","0.0014","22.409","0.004","94.46","0.03","96.95","0.03","98.47","0.03","1115.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.7","synchrotron","","0.0783","0.0673","","","0.2047","0.2151","","","","","","1.058","","","","has coordinates","242890","2020-10-21","18:00:00",""
"4133044","37.321","0.007","7.449","0.0015","16.822","0.003","90","","101.13","0.03","90","","4588.6","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H28 Cl N O2 -","- C28 H28 Cl N O2 -","- C224 H224 Cl8 N8 O16 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0803","0.0726","","","0.2002","0.208","","","","","","1.132","","","","has coordinates","242891","2020-10-21","18:00:00",""
"4133045","7.1224","0.0008","7.4835","0.0008","37.037","0.004","90","","94.938","0.003","90","","1966.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C88 H80 Cl8 N8 O8 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.1045","0.0945","","","0.235","0.2385","","","","","","1.246","","","","has coordinates","242892","2020-10-21","18:00:00",""
"4133046","5.1777","0.0002","20.3335","0.0007","11.7701","0.0005","90","","102.093","0.0015","90","","1211.67","0.08","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0752","0.0457","","","0.0834","0.0934","","","","","","1.019","","","","has coordinates","242893","2020-10-21","18:00:00",""
"4133047","13.412","0.003","14.379","0.003","15.278","0.003","91.54","0.03","106.29","0.03","106.58","0.03","2692.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N O -","- C15 H10 Br N O -","- C120 H80 Br8 N8 O8 -","8","4","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.7","synchrotron","","0.0782","0.0726","","","0.2156","0.219","","","","","","1.073","","","","has coordinates","242894","2020-10-21","18:00:00",""
"4133048","11.286","0.003","8.552","0.0018","20.17","0.005","90","","102.313","0.008","90","","1902","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0872","0.0527","","","0.1187","0.1344","","","","","","1.038","","","","has coordinates","242895","2020-10-21","18:00:00",""
"4133049","7.406","0.0015","13.453","0.003","17.441","0.003","90","","90.02","0.03","90","","1737.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0666","0.0584","","","0.1641","0.1706","","","","","","1.102","","","","has coordinates","242896","2020-10-21","18:00:00",""
"4133050","19.4538","0.0008","15.5386","0.0007","21.3223","0.001","90","","93.348","0.002","90","","6434.4","0.5","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63.17 H42.35 B Cl2.35 F24 Ir N2 O2 -","- C63.172 H42.344 B Cl2.344 F24.012 Ir N2 O2 -","- C252.688 H169.376 B4 Cl9.376 F96.048 Ir4 N8 O8 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0592","0.0378","","","0.0822","0.0919","","","","","","1.056","","","","has coordinates,has disorder","242897","2020-10-21","18:00:00",""
"4133051","9.204","0.003","10.736","0.003","37.751","0.009","90","","90","","90","","3730.3","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N4 O4 S -","- C17 H22 N4 O4 S -","- C136 H176 N32 O32 S8 -","8","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0569","0.0478","","","0.1148","0.1191","","","","","","1.093","","","","has coordinates,has disorder","242898","2020-10-21","18:00:00",""
"4133052","16.188","0.002","6.4618","0.0008","16.639","0.002","90","","111.357","0.002","90","","1621","0.3","100","","99.96","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl F N2 O5 -","- C15 H20 Cl F N2 O5 -","- C60 H80 Cl4 F4 N8 O20 -","4","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0422","0.0373","","","0.0986","0.102","","","","","","1.04","","","","has coordinates,has disorder","242899","2020-10-21","18:00:00",""
"4133053","9.0808","0.0003","14.9109","0.0004","12.3558","0.0004","90","","106.119","0.002","90","","1607.24","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","1","0.5","","Wang, Kuai; Ding, Zhengtian; Zhou, Zhijun; Kong, Wangqing","Ni-Catalyzed Enantioselective Reductive Diarylation of Activated Alkenes by Domino Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2018","140","39","12364","12368","10.1021/jacs.8b08190","","","1.54184","CuKα","","0.0478","0.0427","","","0.1074","0.1112","","","","","","1.036","","","","has coordinates","242900","2020-10-21","18:00:00",""
"4133054","10.3734","0.0004","18.3383","0.0006","11.1315","0.0004","90","","104.216","0.002","90","","2052.7","0.13","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 B2 N2 -","- C32 H18 B2 N2 -","- C128 H72 B8 N8 -","4","1","","Nakatsuka, Soichiro; Yasuda, Nobuhiro; Hatakeyama, Takuji","Four-Step Synthesis of B<sub>2</sub>N<sub>2</sub>-Embedded Corannulene.","Journal of the American Chemical Society","2018","140","42","13562","13565","10.1021/jacs.8b08197","","","0.7813","synchrotron","","0.071","0.0396","","","0.0792","0.1164","","","","","","1.178","","","","has coordinates","242901","2020-10-21","18:00:00",""
"4133055","23.4058","0.0012","9.7389","0.0004","21.1026","0.0011","90","","114.635","0.006","90","","4372.4","0.4","318","2","318","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","0.5","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.1059","0.0584","","","0.1651","0.1836","","","","","","1.098","","","","has coordinates","242902","2020-10-21","18:00:00",""
"4133056","9.8401","0.0003","9.8401","0.0003","7.9506","0.0003","90","","90","","120","","666.7","0.04","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C4 H11 F I3 N Pb -","- C4.0002 H11.001 F1.0002 I3 N Pb -","- C8.0004 H22.002 F2.0004 I6 N2 Pb2 -","2","0.166667","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0292","0.0276","","","0.0748","0.0759","","","","","","1.063","","","","has coordinates","242903","2020-10-21","18:00:00",""
"4133057","9.8122","0.0002","9.8122","0.0002","7.9417","0.0002","90","","90","","120","","662.18","0.03","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 I3 N Pb -","- C4.0002 H12.0006 I3 N Pb -","- C8.0004 H24.0012 I6 N2 Pb2 -","2","0.166667","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0302","0.0258","","","0.0804","0.0819","","","","","","1.013","","","","has coordinates","242904","2020-10-21","18:00:00",""
"4133058","10.0295","0.0004","10.0295","0.0004","8.0329","0.0004","90","","90","","120","","699.78","0.05","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Cl I3 N Pb -","- C4.0002 H11.0004 Cl I3 N Pb -","- C8.0004 H22.0008 Cl2 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0541","0.0329","","","0.1158","0.127","","","","","","1.096","","","","has coordinates","242905","2020-10-21","18:00:00",""
"4133059","23.3952","0.0008","9.6647","0.0002","21.1827","0.0006","90","","114.928","0.004","90","","4343.4","0.3","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","1","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0462","0.043","","","0.1186","0.1205","","","","","","1.007","","","","has coordinates","242906","2020-10-21","18:00:00",""
"4133060","10.0802","0.0005","10.0802","0.0005","8.0696","0.0005","90","","90","","120","","710.1","0.07","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br I3 N Pb -","- C4.0002 H11.0004 Br1.0002 I3 N Pb -","- C8.0004 H22.0008 Br2.0004 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0549","0.0486","","","0.16","0.1686","","","","","","1.055","","","","has coordinates","242907","2020-10-21","18:00:00",""
"4133061","16.3036","0.0007","16.3036","0.0007","9.2767","0.0004","90","","90","","120","","2135.46","0.16","174","2","174","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H42 O13 Zn4 -","- C30 H42 O13 Zn4 -","- C60 H84 O26 Zn8 -","2","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0668","0.0382","","","0.0657","0.0724","","","","","","0.886","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133062","21.407","0.004","21.407","0.004","29.254","0.006","90","","90","","120","","11610","4","174","2","174","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C132 H132 N36 O25 Zn13 -","- C132 H132 N36 O25 Zn13 -","- C396 H396 N108 O75 Zn39 -","3","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0493","0.0397","","","0.1109","0.1171","","","","","","0.899","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133063","18.0896","0.0013","19.6293","0.0014","26.2525","0.0019","95.895","0.004","98.643","0.005","105.487","0.004","8781","1.1","230","2","230","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H225 Ag Au20 S15 -","- C150 H225 Ag Au20 S15 -","- C300 H450 Ag2 Au40 S30 -","2","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.081","0.0579","","","0.1758","0.192","","","","","","1.04","","","","has coordinates","242909","2020-10-21","18:00:00",""
"4133064","28.5598","0.0009","28.5598","0.0009","73.154","0.004","90","","90","","120","","51675","4","229.9","","229.91","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C150 H225 Ag7.85 Au15.15 S15 -","- C150 H225 Ag7.42 Au15.58 S15 -","- C1800 H2700 Ag89.04 Au186.96 S180 -","12","0.333333","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.0866","0.0619","","","0.1557","0.1741","","","","","","1.071","","","","has coordinates","242910","2020-10-21","18:00:00",""
"4133065","17.4011","0.0006","44.214","0.002","30.335","0.0013","90","","93.106","0.003","90","","23304.6","1.7","230","2","230.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H225 Ag4 Au19 S15 -","- C150 H225 Ag4 Au19 S15 -","- C600 H900 Ag16 Au76 S60 -","4","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.1494","0.1317","","","0.3186","0.3306","","","","","","1.136","","","","has coordinates","242911","2020-10-21","18:00:00",""
"4133066","17.435","0.0008","34.747","0.002","31.2829","0.0015","90","","93.945","0.003","90","","18906.7","1.7","230","2","230.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H225 Ag5.76 Au17.24 S15 -","- C150 H225 Ag5.76 Au17.24 S15 -","- C600 H900 Ag23.04 Au68.96 S60 -","4","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.1241","0.0945","","","0.2418","0.2617","","","","","","1.059","","","","has coordinates","242912","2020-10-21","18:00:00",""
"4133067","10.14479","0.00018","15.77","0.0003","18.0637","0.0003","90","","90","","90","","2889.89","0.09","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H38 F6 Fe N4 O3 S2 -","- C23 H38 F6 Fe N4 O3 S2 -","- C92 H152 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0235","0.0225","","","0.0536","0.0543","","","","","","1.057","","","","has coordinates","242913","2020-10-21","18:00:00",""
"4133068","8.69605","0.0001","27.0715","0.0003","11.47003","0.00012","90","","99.8988","0.0011","90","","2660.02","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F3 Fe N4 O3 S2 -","- C22 H39 F3 Fe N4 O3 S2 -","- C88 H156 F12 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","1.54178","CuKα","","0.0284","0.0252","","","0.06","0.0619","","","","","","1.022","","","","has coordinates","242914","2020-10-21","18:00:00",""
"4133069","16.8056","0.0003","12.9548","0.0002","25.241","0.0005","90","","90","","90","","5495.3","0.17","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C38 H58 F12 Fe2 N10 O11 S4 -","- C38 H58 F12 Fe2 N10 O11 S4 -","- C152 H232 F48 Fe8 N40 O44 S16 -","4","0.5","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0352","0.0301","","","0.0715","0.0746","","","","","","1.029","","","","has coordinates,has disorder","242915","2020-10-21","18:00:00",""
"4133070","8.3436","0.0002","23.146","0.0006","12.0896","0.0005","90","","94.827","0.003","90","","2326.47","0.13","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 F6 Fe N4 O3 S2 -","- C17 H26 F6 Fe N4 O3 S2 -","- C68 H104 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.031","0.0262","","","0.0613","0.0639","","","","","","1.043","","","","has coordinates,has disorder","242916","2020-10-21","18:00:00",""
"4133071","8.5954","0.0002","20.9367","0.0005","12.2537","0.0004","90","","106.051","0.003","90","","2119.2","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 F3 Fe N4 O3 S2 -","- C16 H27 F3 Fe N4 O3 S2 -","- C64 H108 F12 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0324","0.0267","","","0.0618","0.0646","","","","","","1.026","","","","has coordinates,has disorder","242917","2020-10-21","18:00:00",""
"4133072","7.1478","0.0007","19.364","0.002","20.976","0.002","90","","90","","90","","2903.3","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Zhang, Bing; Wei, Mufeng; Mao, Haiyan; Pei, Xiaokun; Alshmimri, Sultan A.; Reimer, Jeffrey A.; Yaghi, Omar M.","Crystalline Dioxin-Linked Covalent Organic Frameworks from Irreversible Reactions.","Journal of the American Chemical Society","2018","140","40","12715","12719","10.1021/jacs.8b08374","","x-ray","0.7288","synchrotron","","0.0438","0.0375","","","0.0963","0.1021","","","","","","1.066","","","","has coordinates","242918","2020-10-21","18:00:00",""
"4133073","6.5384","0.0007","19.201","0.002","12.6755","0.0014","90","","92.199","0.002","90","","1590.2","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","bis(mu2-2,2,2',2'-tetramethyl-1,3-benzenedipropanoato-O,O')-aqua-rhodium- bismuth","","- C32 H41.44 Bi O9 Rh -","- C32 H41.4366 Bi O9 Rh -","- C64 H82.8732 Bi2 O18 Rh2 -","2","1","","Collins, Lee R.; van Gastel, Maurice; Neese, Frank; Fürstner, Alois","Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational Study.","Journal of the American Chemical Society","2018","140","40","13042","13055","10.1021/jacs.8b08384","","","0.71073","Mo-Kα","","0.0476","0.0418","","","0.0872","0.0887","","","","","","1.223","","","","has coordinates,has disorder","242919","2020-10-21","18:00:00",""
"4133074","19.557","0.004","5.417","0.0011","21.739","0.004","90","","102.53","0.03","90","","2248.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 S3 -","- C21 H19 N O4 S3 -","- C84 H76 N4 O16 S12 -","4","1","","Huang, Zixuan; Noble, Benjamin B.; Corrigan, Nathaniel; Chu, Yingying; Satoh, Kotaro; Thomas, Donald S.; Hawker, Craig J.; Moad, Graeme; Kamigaito, Masami; Coote, Michelle L.; Boyer, Cyrille; Xu, Jiangtao","Discrete and Stereospecific Oligomers Prepared by Sequential and Alternating Single Unit Monomer Insertion.","Journal of the American Chemical Society","2018","140","41","13392","13406","10.1021/jacs.8b08386","","","0.71073","MoKα","","0.3022","0.1801","","","0.4042","0.4696","","","","","","1.226","","","","has coordinates","242920","2020-10-21","18:00:00",""
"4133075","10.069","0.005","13.923","0.003","23.605","0.004","99.637","0.016","96.307","0.017","102.375","0.019","3150","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H106 B2 Cl9 N P2 Pt -","- C54 H106 B2 Cl9 N P2 Pt -","- C108 H212 B4 Cl18 N2 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0721","0.0489","","","0.0939","0.1013","","","","","","1.082","","","","has coordinates,has disorder","242922","2020-10-21","18:00:00",""
"4133076","17.525","0.008","8.667","0.004","18.103","0.005","90","","90","","90","","2749.6","1.9","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C35 H26 B2 Cl2 -","- C35 H26 B2 Cl2 -","- C140 H104 B8 Cl8 -","4","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0387","0.0322","","","0.0837","0.0884","","","","","","1.04","","","","has coordinates","242923","2020-10-21","18:00:00",""
"4133077","9.098","0.003","14.582","0.004","20.853","0.003","90","","99.45","0.02","90","","2729","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B2 F2 P2 Pt -","- C24 H40 B2 F2 P2 Pt -","- C96 H160 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0271","0.021","","","0.0476","0.0496","","","","","","1.05","","","","has coordinates","242924","2020-10-21","18:00:00",""
"4133078","15.01","0.008","13.878","0.007","19.709","0.01","90","","93.77","0.02","90","","4097","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B2 F2 -","- C28 H18 B2 F2 -","- C224 H144 B16 F16 -","8","2","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.1018","0.0493","","","0.1006","0.122","","","","","","0.998","","","","has coordinates","242925","2020-10-21","18:00:00",""
"4133079","6.4637","0.0016","12.672","0.004","8.946","0.003","90","","95.955","0.011","90","","728.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 B2 Cl4 P2 -","- C6 H18 B2 Cl4 P2 -","- C12 H36 B4 Cl8 P4 -","2","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0202","0.0174","","","0.0435","0.0443","","","","","","1.081","","","","has coordinates","242926","2020-10-21","18:00:00",""
"4133080","10.061","0.004","13.999","0.007","23.687","0.01","99.726","0.008","96.352","0.005","102.088","0.007","3178","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H106 B2 Br Cl8 N P2 Pt -","- C54 H106 B2 Br Cl8 N P2 Pt -","- C108 H212 B4 Br2 Cl16 N2 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0629","0.0496","","","0.116","0.1233","","","","","","1.078","","","","has coordinates,has disorder","242927","2020-10-21","18:00:00",""
"4133081","9.3437","0.0015","12.3226","0.0019","33.839","0.008","90","","97.135","0.014","90","","3866","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 B2 F2 P2 Pt -","- C39 H64 B2 F2 P2 Pt -","- C156 H256 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0381","0.0324","","","0.0727","0.0744","","","","","","1.182","","","","has coordinates","242928","2020-10-21","18:00:00",""
"4133082","10.568","0.003","10.666","0.003","21.787","0.008","95.4","0.02","98.984","0.014","90.482","0.014","2414.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H65 B2 F2 P2 Pt2 -","- C53 H65 B2 F2 P2 Pt2 -","- C106 H130 B4 F4 P4 Pt4 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0377","0.0248","","","0.0591","0.0651","","","","","","1.031","","","","has coordinates","242929","2020-10-21","18:00:00",""
"4133083","12.422","0.003","13.924","0.003","19.359","0.005","90","","95.423","0.012","90","","3333.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B2 F2 P2 Pt -","- C30 H52 B2 F2 P2 Pt -","- C120 H208 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.022","0.0179","","","0.0436","0.0452","","","","","","1.078","","","","has coordinates","242930","2020-10-21","18:00:00",""
"4133084","17.286","0.005","11.333","0.004","22.6","0.007","90","","96.45","0.03","90","","4399","2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 B2 -","- C63 H46 B2 -","- C252 H184 B8 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0629","0.0525","","","0.1342","0.1432","","","","","","1.071","","","","has coordinates","242931","2020-10-21","18:00:00",""
"4133085","9.869","0.005","11.089","0.006","21.351","0.012","94.42","0.03","99.27","0.019","96.16","0.02","2282","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H74 B2 Cl4 P2 Pt -","- C43 H74 B2 Cl4 P2 Pt -","- C86 H148 B4 Cl8 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0279","0.0242","","","0.0545","0.0562","","","","","","1.054","","","","has coordinates,has disorder","242932","2020-10-21","18:00:00",""
"4133086","20.56","0.0003","20.56","0.0003","67.1128","0.0011","90","","90","","90","","28369.5","0.7","293","","293","","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_SO2","- C44 H24 N2 O44.544 S14.272 Zr3 -","- C44 H24 N2 O44.544 S14.272 Zr3 -","- C352 H192 N16 O356.352 S114.176 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","3.10498","","","","","","","","2.76239","","","","","","","has coordinates","242933","2020-10-21","18:00:00",""
"4133087","20.5905","0.0004","20.5905","0.0004","66.874","0.002","90","","90","","90","","28352.5","1.2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","MFM-600","","","- C38.13 H20 N1.73 O11.47 Zr2 -","- C39.6 H20.6667 N1.8 O11.6 Zr2 -","- C475.2 H248 N21.6 O139.2 Zr24 -","12","0.375","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","","x-ray","1.54184","CuKα","","0.1091","0.0837","","","0.234","0.2628","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4133088","20.7442","0.0002","20.7442","0.0002","66.4456","0.0007","90","","90","","90","","28593","0.5","298","","298","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_empty","- C44 H24 N2 O16 Zr3 -","- C44 H24 N2 O16 Zr3 -","- C352 H192 N16 O128 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","6.04349","","","","","","","","4.07772","","","","","","","has coordinates","242935","2020-10-21","18:00:00",""
"4133089","20.6839","0.0003","20.6839","0.0003","66.7301","0.0009","90","","90","","90","","28548.7","0.7","200","","200","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_CO2","- C51.36 H24 N2 O28.72 Zr3 -","- C51.044 H24 N2 O28.404 Zr3 -","- C408.352 H192 N16 O227.232 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","4.98582","","","","","","","","3.30269","","","","","","","has coordinates","242936","2020-10-21","18:00:00",""
"4133090","13.0018","0.0005","18.0812","0.0007","18.4092","0.0007","100.535","0.001","105.668","0.002","105.893","0.002","3850.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H53 B Cl F24 Mo N3 P2 -","- C79 H53 B Cl F24 Mo N3 P2 -","- C158 H106 B2 Cl2 F48 Mo2 N6 P4 -","2","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0448","0.0422","","","0.1111","0.1134","","","","","","1.091","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133091","37.1367","0.0009","11.2491","0.0003","17.4213","0.0004","90","","90","","90","","7277.8","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C81 H57 B F24 Mo N3 P2 -","- C81 H57 B F24 Mo N3 P2 -","- C324 H228 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0334","0.0333","","","0.0861","0.0862","","","","","","1.076","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133092","19.2322","0.0004","17.1195","0.0004","23.0976","0.0005","90","","100.715","0.001","90","","7472.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H58 B F24 Mo N3 P2 -","- C81 H58 B F24 Mo N3 P2 -","- C324 H232 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0433","0.041","","","0.1018","0.1038","","","","","","1.045","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133093","10.3714","0.0002","16.5866","0.0003","22.7054","0.0004","90","","96.857","0.001","90","","3877.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 Mo N3 P2 -","- C49 H45 Mo N3 P2 -","- C196 H180 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0298","0.0271","","","0.0621","0.0638","","","","","","1.126","","","","has coordinates","242937","2020-10-21","18:00:00",""
"4133094","4.5113","0.0003","17.3791","0.001","15.5995","0.0009","90","","94.788","0.003","90","","1218.77","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.1058","0.0602","","","0.1338","0.1494","","","","","","1.022","","","","has coordinates","242938","2020-10-21","18:00:00",""
"4133095","14.4912","0.0006","9.6735","0.0004","16.1593","0.0007","90","","115.133","0.001","90","","2050.76","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N6 O6 -","- C46 H58 N6 O6 -","- C92 H116 N12 O12 -","2","0.5","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.059","0.0468","","","0.1229","0.1313","","","","","","1.045","","","","has coordinates","242939","2020-10-21","18:00:00",""
"4133096","19.855","0.002","5.3006","0.0006","15.6536","0.0018","90","","90","","90","","1647.4","0.3","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C37 H39 N3 O3 -","- C37 H39 N3 O3 -","- C74 H78 N6 O6 -","2","0.5","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0891","0.0577","","","0.1156","0.1269","","","","","","1.057","","","","has coordinates","242940","2020-10-21","18:00:00",""
"4133097","6.0098","0.0003","7.2615","0.0003","27.0654","0.0011","93.947","0.001","90.405","0.001","91.11","0.001","1178.07","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","2","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0868","0.056","","","0.1464","0.1642","","","","","","1.028","","","","has coordinates","242941","2020-10-21","18:00:00",""
"4133098","18.3453","0.0008","18.3453","0.0008","52.3638","0.0016","90","","90","","120","","15262","1.1","120","2","120.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","MFM-102-NH2","","","- C28 H14 Cu2 N2 O10 -","- C30 H14 Cu2 N2 O10 -","- C270 H126 Cu18 N18 O90 -","9","0.25","","Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16006","16009","10.1021/jacs.8b08504","","","1.54184","CuKα","","0.0916","0.0836","","","0.2756","0.2895","","","","","","1.278","","","","has coordinates,has disorder","242942","2020-10-21","18:00:00",""
"4133099","18.3933","0.0006","18.3933","0.0006","52.3346","0.0018","90","","90","","120","","15333.4","0.9","120","2","120","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H13 Cu2 N2 O14 -","- C28 H13 Cu2 N2 O14 -","- C252 H117 Cu18 N18 O126 -","9","0.25","","Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16006","16009","10.1021/jacs.8b08504","","","1.54184","CuKα","","0.091","0.0857","","","0.3166","0.3301","","","","","","1.517","","","","has coordinates,has disorder","242943","2020-10-21","18:00:00",""
"4133100","33.633","0.003","10.3014","0.0011","33.059","0.003","90","","103.544","0.005","90","","11135.3","1.9","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 F20 N8 O2 P2 -","- C54 H52 F20 N8 O2 P2 -","- C432 H416 F160 N64 O16 P16 -","8","2","","Wang, Yuping; Cheng, Tao; Sun, Junling; Liu, Zhichang; Frasconi, Marco; Goddard, 3rd, William A; Stoddart, J. Fraser","Neighboring Component Effect in a Tri-stable [2]Rotaxane.","Journal of the American Chemical Society","2018","140","42","13827","13834","10.1021/jacs.8b08519","","","1.54178","CuKα","","0.1922","0.1162","","","0.2785","0.3297","","","","","","1.017","","","","has coordinates","242945","2020-10-21","18:00:00",""
"4133101","10.4011","0.0012","14.499","0.0017","15.8935","0.0018","77.913","0.006","75.424","0.006","84.359","0.006","2265.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N6 O2 -","- C51 H58 B Fe N6 O2 -","- C102 H116 B2 Fe2 N12 O4 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.0588","0.0409","","","0.111","0.1149","","","","","","1.094","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133102","11.3063","0.0004","14.0433","0.0005","14.6725","0.0005","81.601","0.002","85.289","0.002","71.56","0.002","2184.75","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N5 O -","- C51 H58 B Fe N5 O -","- C102 H116 B2 Fe2 N10 O2 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.0379","0.0355","","","0.0963","0.0976","","","","","","1.048","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133103","10.5114","0.0003","15.288","0.0004","17.6141","0.0005","71.067","0.002","76.115","0.002","72.057","0.001","2516.18","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H66 B Fe N6 O4 -","- C55 H66 B Fe N6 O4 -","- C110 H132 B2 Fe2 N12 O8 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.06","0.0543","","","0.1567","0.1616","","","","","","1.079","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133104","12.7147","0.0005","13.7514","0.0005","16.3476","0.0007","90","","108.215","0.004","90","","2715.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Fe N4 O2 -","- C29 H38 Fe N4 O2 -","- C116 H152 Fe4 N16 O8 -","4","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","x-ray","0.71073","MoKα","","0.0426","0.0336","","","0.0865","0.0946","","","","","","1.055","","","","has coordinates,has disorder","242946","2020-10-21","18:00:00",""
"4133105","9.1431","0.0001","12.8888","0.0002","19.5058","0.0003","91.109","0.001","97.201","0.001","101.123","0.001","2235.43","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N5 O2 -","- C51 H58 B Fe N5 O2 -","- C102 H116 B2 Fe2 N10 O4 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","x-ray","0.71073","MoKα","","0.0318","0.0284","","","0.0739","0.0759","","","","","","1.045","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133106","16.165","0.002","9.9467","0.0014","17.475","0.003","90","","95.499","0.003","90","","2796.8","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Fe N4 O3 -","- C29 H38 Fe N4 O3 -","- C116 H152 Fe4 N16 O12 -","4","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","0.71073","MoKα","","0.0418","0.0354","","","0.0914","0.0977","","","","","","1.04","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133107","19.5737","0.0003","51.8182","0.0007","14.2647","0.00017","90","","90.833","0.001","90","","14466.8","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99.45 H115.73 Cl12 N17.3 O5.48 Pd6 -","- C98.5 H103.325 Cl12 N17.31 O5.485 Pd6 -","- C394 H413.3 Cl48 N69.24 O21.94 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1289","0.1085","","","0.242","0.2511","","","","","","1.172","","","","has coordinates,has disorder","242947","2020-10-21","18:00:00",""
"4133108","7.9169","0.0003","19.429","0.0009","7.3475","0.0003","90","","98.185","0.004","90","","1118.66","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.042","0.0367","","","0.0964","0.0993","","","","","","1.078","","","","has coordinates","242948","2020-10-21","18:00:00",""
"4133109","19.5614","0.0005","51.55","0.002","14.2922","0.0004","90","","90.911","0.002","90","","14410.3","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89.75 H96.62 Cl12 N14.87 O2 Pd6 -","- C89.74 H92.61 Cl12 N14.87 O2 Pd6 -","- C358.96 H370.44 Cl48 N59.48 O8 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.2288","0.1763","","","0.366","0.3914","","","","","","1.089","","","","has coordinates","242949","2020-10-21","18:00:00",""
"4133110","19.58634","0.00019","52.1165","0.0005","14.22037","0.00014","90","","91.446","0.001","90","","14511.1","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102.62 H103.47 Cl12 N17.69 O5.6 Pd6 -","- C102.64 H103.504 Cl12 N17.696 O5.604 Pd6 -","- C410.56 H414.016 Cl48 N70.784 O22.416 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1209","0.1052","","","0.2312","0.2381","","","","","","1.185","","","","has coordinates,has disorder","242950","2020-10-21","18:00:00",""
"4133111","19.5974","0.0002","51.9761","0.0006","14.2421","0.00014","90","","90.977","0.001","90","","14504.8","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98.38 H114.46 Cl12 N16.83 O6 Pd6 -","- C96.45 H99.75 Cl12 N16.86 O6 Pd6 -","- C385.8 H399 Cl48 N67.44 O24 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1065","0.0948","","","0.2199","0.2259","","","","","","1.161","","","","has coordinates,has disorder","242951","2020-10-21","18:00:00",""
"4133112","19.6067","0.0004","51.7809","0.0013","14.2567","0.0003","90","","90.818","0.002","90","","14472.7","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93.05 H109.57 Cl12 N16.53 O6 Pd6 -","- C93.02 H97.53 Cl12 N16.51 O6 Pd6 -","- C372.08 H390.12 Cl48 N66.04 O24 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.1793","0.1544","","","0.3196","0.3302","","","","","","1.177","","","","has coordinates","242952","2020-10-21","18:00:00",""
"4133113","19.548","0.0002","51.5698","0.0008","14.2643","0.00015","90","","90.991","0.001","90","","14377.5","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.55 H103.3 Cl12 N15.77 O3.99 Pd6 -","- C91.56 H95.34 Cl12 N15.78 O3.99 Pd6 -","- C366.24 H381.36 Cl48 N63.12 O15.96 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.1824","0.1637","","","0.3404","0.3501","","","","","","1.153","","","","has coordinates","242953","2020-10-21","18:00:00",""
"4133114","9.445","0.006","17.635","0.011","12.818","0.009","90","","100.343","0.018","90","","2100","2","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H65 N O2 -","- C48 H65 N O2 -","- C96 H130 N2 O4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0622","0.0449","","","0.1115","0.1227","","","","","","1.049","","","","has coordinates","242954","2020-10-21","18:00:00",""
"4133115","10.9104","0.0004","11.69","0.0004","19.0142","0.0007","84.791","0.001","89.599","0.001","64.421","0.001","2177","0.14","102.64","","102.64","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 F12 N2 O Sb2 -","- C37 H58 F12 N2 O Sb2 -","- C74 H116 F24 N4 O2 Sb4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0284","0.0243","","","0.0576","0.0593","","","","","","1.067","","","","has coordinates,has disorder","242955","2020-10-21","18:00:00",""
"4133116","21.146","0.01","10.812","0.005","21.727","0.014","90","","113.97","0.03","90","","4539","4","150.07","","150.07","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 F12 N2 O3 Sb2 -","- C42 H42 Cl2 F12 N2 O3 Sb2 -","- C168 H168 Cl8 F48 N8 O12 Sb8 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.1219","0.0618","","","0.105","0.1232","","","","","","1.015","","","","has coordinates","242956","2020-10-21","18:00:00",""
"4133117","15.9767","0.0014","14.0442","0.0012","18.0755","0.0012","90","","112.971","0.002","90","","3734.2","0.5","149.95","","149.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Cl3 N2 O3 -","- C38 H49 Cl3 N2 O3 -","- C152 H196 Cl12 N8 O12 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0588","0.0423","","","0.1032","0.1136","","","","","","1.035","","","","has coordinates","242957","2020-10-21","18:00:00",""
"4133118","16.5937","0.0015","18.4373","0.0017","19.3881","0.0018","90","","90","","90","","5931.7","0.9","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N2 O -","- C38 H38 N2 O -","- C304 H304 N16 O8 -","8","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0962","0.0567","","","0.1261","0.1437","","","","","","1.04","","","","has coordinates","242958","2020-10-21","18:00:00",""
"4133119","16.3993","0.0004","10.4714","0.0003","21.894","0.0006","90","","108.739","0.001","90","","3560.42","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 F6 N O Sb -","- C35 H55 F6 N O Sb -","- C140 H220 F24 N4 O4 Sb4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.56086","AgKα","","0.0601","0.0527","","","0.1239","0.1283","","","","","","1.132","","","","has coordinates,has disorder","242959","2020-10-21","18:00:00",""
"4133120","11.107","0.0007","11.9674","0.0012","13.1084","0.0011","100.218","0.004","106.913","0.002","101.637","0.004","1580.1","0.2","149.95","","149.95","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 N O -","- C39 H47 N O -","- C78 H94 N2 O2 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0504","0.0449","","","0.1263","0.1316","","","","","","1.038","","","","has coordinates","242960","2020-10-21","18:00:00",""
"4133121","10.6399","0.0005","16.1527","0.0007","18.8284","0.0009","90","","104.567","0.002","90","","3131.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N O -","- C35 H55 N O -","- C140 H220 N4 O4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.051","0.0417","","","0.1112","0.1175","","","","","","1.047","","","","has coordinates","242961","2020-10-21","18:00:00",""
"4133122","29.162","0.002","37.089","0.003","21.3845","0.0016","90","","128.754","0.002","90","","18037","2","149.93","","149.93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H44 N2 O -","- C34 H44 N2 O -","- C816 H1056 N48 O24 -","24","6","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0702","0.0503","","","0.136","0.1503","","","","","","1.028","","","","has coordinates","242962","2020-10-21","18:00:00",""
"4133123","16.9545","0.0014","8.8519","0.0009","20.4216","0.0019","90","","96.701","0.004","90","","3043.9","0.5","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N2 O -","- C34 H46 N2 O -","- C136 H184 N8 O4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0566","0.0492","","","0.1357","0.1427","","","","","","1.038","","","","has coordinates,has disorder","242963","2020-10-21","18:00:00",""
"4133124","9.091","0.007","13.501","0.01","24.173","0.017","90","","92.202","0.009","90","","2965","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","GaRhOPh","GaRhOPh","","- C33 H35 Ga N7 O Rh -","- C33 H35 Ga N7 O Rh -","- C132 H140 Ga4 N28 O4 Rh4 -","4","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0406","0.0292","","","0.0634","0.0687","","","","","","1.029","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133125","9.896","0.006","14.132","0.008","29.945","0.017","95.787","0.007","92.199","0.007","100.755","0.006","4086","4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","monoRh","monoRh","","- C29 H36 N7 O Rh -","- C29 H36 N7 O Rh -","- C174 H216 N42 O6 Rh6 -","6","3","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0501","0.0357","","","0.0801","0.0861","","","","","","0.967","","","","has coordinates","242964","2020-10-21","18:00:00",""
"4133126","19.294","0.0008","12.8245","0.0005","19.7857","0.0008","90","","90","","90","","4895.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","GaRhCl","GaRhCl","","- C22 H26 Cl3 Ga N7 Rh -","- C22 H26 Cl3 Ga N7 Rh -","- C176 H208 Cl24 Ga8 N56 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0325","0.0243","","","0.0551","0.06","","","","","","1.052","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133127","17.4625","0.0007","12.5659","0.0005","20.6692","0.0009","90","","90","","90","","4535.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GaRhMe","GaRhMe","","- C23 H28.5 Ga N7.5 Rh -","- C23 H28.5 Ga N7.5 Rh -","- C184 H228 Ga8 N60 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0219","0.0187","","","0.0445","0.0458","","","","","","1.051","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133128","8.842","0.004","22.611","0.008","18.333","0.008","90","","103.081","0.019","90","","3570","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Rh(OPh)diphenylacetylene","Rh(OPh)diphenylacetylene","","- C41 H42 N7 O Rh -","- C41 H42 N7 O Rh -","- C164 H168 N28 O4 Rh4 -","4","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0793","0.0428","","","0.0666","0.076","","","","","","1.046","","","","has coordinates","242964","2020-10-21","18:00:00",""
"4133129","31.9639","0.0007","19.6929","0.0003","18.4105","0.0004","90","","108.64","0.002","90","","10980.8","0.4","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-OAc","[Fe2((Py2PhO2)MP)(OAc)2](CoCp2)","","- C51 H53 Cl4 Co Fe2 N4 O7 -","- C51 H53 Cl4 Co Fe2 N4 O7 -","- C408 H424 Cl32 Co8 Fe16 N32 O56 -","8","1","","Dong, Hai T.; White, Corey J.; Zhang, Bo; Krebs, Carsten; Lehnert, Nicolai","Non-Heme Diiron Model Complexes Can Mediate Direct NO Reduction: Mechanistic Insight into Flavodiiron NO Reductases.","Journal of the American Chemical Society","2018","140","41","13429","13440","10.1021/jacs.8b08567","","","1.54178","CuKα","","0.0668","0.0553","","","0.15","0.1615","","","","","","1.019","","","","has coordinates,has disorder","242965","2020-10-21","18:00:00",""
"4133130","13.9343","0.0003","5.64024","0.00015","10.3593","0.0003","90","","90","","90","","814.17","0.04","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C32 H24 Cl8 N8 -","4","1","","Liu, Huiyu; Zhang, Weiguo; Halasyamani, P. Shiv; Stokes, Harold T.; Campbell, Branton J.; Evans, John S. O.; Evans, Ivana Radosavljevic","Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis.","Journal of the American Chemical Society","2018","140","41","13441","13448","10.1021/jacs.8b08591","","","0.71073","MoKα","","0.03","0.0272","","0.0488","0.0456","0.0456","","","","","","1","","","","has coordinates","242966","2020-10-21","18:00:00",""
"4133131","10.242","0.0002","11.6419","0.0002","23.9124","0.0005","90","","102.025","0.001","90","","2788.66","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(η^2^,η^2^-Tetraphenylcyclopentadienone)-tricarbonyl-iron methylene chloride solvate","","- C33 H22 Cl2 Fe O4 -","- C33 H22 Cl2 Fe O4 -","- C132 H88 Cl8 Fe4 O16 -","4","1","","Lehnherr, Dan; Ji, Yining; Neel, Andrew J.; Cohen, Ryan D.; Brunskill, Andrew P. J.; Yang, Junyu; Reibarkh, Mikhail","Discovery of a Photoinduced Dark Catalytic Cycle Using in Situ LED-NMR Spectroscopy.","Journal of the American Chemical Society","2018","140","42","13843","13853","10.1021/jacs.8b08596","","","1.54178","CuKα","","0.0317","0.0302","","","0.0769","0.0779","","","","","","1.04","","","","has coordinates","242967","2020-10-21","18:00:00",""
"4133132","8.9859","0.0001","10.7111","0.0001","12.6455","0.0002","80.524","0.001","74.47","0.001","72.238","0.001","1112.21","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O5 S -","- C24 H29 N O5 S -","- C48 H58 N2 O10 S2 -","2","1","","Wu, Xiangyu; Hao, Wei; Ye, Ke-Yin; Jiang, Binyang; Pombar, Gisselle; Song, Zhidong; Lin, Song","Ti-Catalyzed Radical Alkylation of Secondary and Tertiary Alkyl Chlorides Using Michael Acceptors.","Journal of the American Chemical Society","2018","140","44","14836","14843","10.1021/jacs.8b08605","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.098","0.0991","","","","","","1.075","","","","has coordinates,has disorder","242968","2020-10-21","18:00:00",""
"4133133","8.185","0.0003","19.0335","0.0007","14.056","0.0006","90","","101.603","0.003","90","","2145.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Zhang, Rui; Peterson, Joshua P.; Fischer, Logan J.; Ellern, Arkady; Winter, Arthur H.","Effect of Structure on the Spin-Spin Interactions of Tethered Dicyanomethyl Diradicals.","Journal of the American Chemical Society","2018","140","43","14308","14313","10.1021/jacs.8b08628","","","1.54178","CuKα","","0.0585","0.0404","","","0.0986","0.1099","","","","","","1.012","","","","has coordinates","242969","2020-10-21","18:00:00",""
"4133134","9.0474","0.0002","17.4635","0.0004","7.6236","0.0002","90","","111.407","0.001","90","","1121.42","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","","Zhang, Rui; Peterson, Joshua P.; Fischer, Logan J.; Ellern, Arkady; Winter, Arthur H.","Effect of Structure on the Spin-Spin Interactions of Tethered Dicyanomethyl Diradicals.","Journal of the American Chemical Society","2018","140","43","14308","14313","10.1021/jacs.8b08628","","","1.54178","CuKα","","0.0368","0.0366","","","0.0954","0.0957","","","","","","1.05","","","","has coordinates","242970","2020-10-21","18:00:00",""
"4133135","12.5991","0.0006","12.6108","0.0006","16.3357","0.0007","88.513","0.002","87.106","0.002","81.009","0.002","2559.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C64 H44 N4 O16 S8 Zn4 -","2","1","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.0795","0.0771","","","0.194","0.1955","","","","","","1.032","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133136","16.408","0.003","9.176","0.002","22.573","0.005","90","","90","","90","","3398.6","1.2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.25","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.149","0.099","","","0.2366","0.2681","","","","","","1.073","","","","has coordinates","242971","2020-10-21","18:00:00",""
"4133137","8.7483","0.0007","16.381","0.0012","23.7451","0.0016","90","","90","","90","","3402.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.5","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.1314","0.0762","","","0.172","0.2003","","","","","","1.065","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133138","21.1019","0.0007","7.5385","0.0002","27.224","0.0008","90","","111.514","0.004","90","","4029","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Br N6 O2 -","- C20 H21 Br N6 O2 -","- C160 H168 Br8 N48 O16 -","8","2","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0466","0.0358","","","0.0862","0.0931","","","","","","1.028","","","","has coordinates","242972","2020-10-21","18:00:00",""
"4133139","16.4964","0.0002","20.5023","0.0003","5.05085","0.00007","90","","90","","90","","1708.27","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0312","0.0287","","","0.0717","0.0733","","","","","","1.056","","","","has coordinates","242973","2020-10-21","18:00:00",""
"4133140","10.1486","0.0004","10.7029","0.0005","11.017","0.0005","78.363","0.004","81.711","0.004","62.2","0.004","1035.05","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 I N6 O2 -","- C20 H21 I N6 O2 -","- C40 H42 I2 N12 O4 -","2","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0238","0.0228","","","0.0576","0.0587","","","","","","1.048","","","","has coordinates","242974","2020-10-21","18:00:00",""
"4133141","7.44527","0.00012","9.34308","0.00012","30.9935","0.0005","90","","94.8031","0.0015","90","","2148.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0527","0.0513","","","0.1242","0.1249","","","","","","1.165","","","","has coordinates","242975","2020-10-21","18:00:00",""
"4133142","7.4234","0.0005","18.5015","0.001","14.8435","0.0008","90","","91.626","0.005","90","","2037.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl Li N5 O6 -","- C20 H17 Cl Li N5 O6 -","- C80 H68 Cl4 Li4 N20 O24 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.1009","0.0546","","","0.112","0.1363","","","","","","1.011","","","","has coordinates","242976","2020-10-21","18:00:00",""
"4133143","10.4474","0.0004","14.5733","0.0004","13.6575","0.0004","90","","91.382","0.003","90","","2078.79","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I K N5 O2 -","- C20 H17 I K N5 O2 -","- C80 H68 I4 K4 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0618","0.0565","","","0.1482","0.1512","","","","","","1.11","","","","has coordinates","242977","2020-10-21","18:00:00",""
"4133144","6.8614","0.0002","19.3391","0.0006","15.0522","0.0004","90","","98.006","0.003","90","","1977.86","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 I N5 Na O2 -","- C20 H17 I N5 Na O2 -","- C80 H68 I4 N20 Na4 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0394","0.0301","","","0.0715","0.0757","","","","","","1.004","","","","has coordinates","242978","2020-10-21","18:00:00",""
"4133145","10.536","0.002","12.415","0.002","16.43","0.003","90","","96.77","0.03","90","","2134.1","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C36 H96 Br24 N12 Pb6 -","6","3","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.137","0.0575","","","0.1332","0.1807","","","","","","0.862","","","","has coordinates","242980","2020-10-21","18:00:00",""
"4133146","6.2455","0.0004","16.8901","0.001","20.1013","0.0011","73.597","0.003","84.96","0.003","88.793","0.003","2026.2","0.2","250","2","249.96","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48 Br10 N6 Pb2 -","- C18 H48 Br10 N6 Pb2 -","- C36 H96 Br20 N12 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0441","0.0315","","","0.0847","0.0951","","","","","","0.971","","","","has coordinates","242981","2020-10-21","18:00:00",""
"4133147","28.452","0.006","12.218","0.002","15.839","0.003","90","","104.93","0.03","90","","5320.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H14 Br4 N2 Pb -","- C5 H14 Br4 N2 Pb -","- C80 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0914","0.0566","","","0.1289","0.1467","","","","","","1.053","","","","has coordinates","242982","2020-10-21","18:00:00",""
"4133148","17.745","0.004","10.235","0.002","7.8299","0.0016","90","","90","","90","","1422.1","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Br3.97 N2 Pb -","- C6 H16 Br3.969 N2 Pb -","- C24 H64 Br15.876 N8 Pb4 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0559","0.0452","","","0.1156","0.1284","","","","","","1.06","","","","has coordinates,has disorder","242983","2020-10-21","18:00:00",""
"4133149","16.55","0.003","39.66","0.008","7.9623","0.0016","90","","90","0.03","90","","5226.2","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 Br3 N Pb -","- C7 H16 Br3 N Pb -","- C112 H256 Br48 N16 Pb16 -","16","4","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1588","0.0921","","","0.267","0.3147","","","","","","1.044","","","","has coordinates","242984","2020-10-21","18:00:00",""
"4133150","45.062","0.009","9.5432","0.0019","15.205","0.003","90","","97.92","0.03","90","","6476","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Br10 N4 Pb3 -","- C10 H28 Br10 N4 Pb3 -","- C80 H224 Br80 N32 Pb24 -","8","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1231","0.0662","","","0.1497","0.1736","","","","","","1.03","","","","has coordinates","242985","2020-10-21","18:00:00",""
"4133151","7.9457","0.0004","16.1647","0.0009","37.86","0.002","90","","89.999","0.001","90","","4862.7","0.4","250","2","249.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Br3 N Pb -","- C6 H14 Br3 N Pb -","- C96 H224 Br48 N16 Pb16 -","16","8","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1117","0.05","","","0.1378","0.1639","","","","","","1.101","","","","has coordinates","242986","2020-10-21","18:00:00",""
"4133152","11.9001","0.0002","13.9565","0.0003","15.9207","0.0003","69.733","0.002","69.229","0.002","78.64","0.002","2310.95","0.09","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 F6 N6 O2 P2 Ru S2 -","- C44 H38 F6 N6 O2 P2 Ru S2 -","- C88 H76 F12 N12 O4 P4 Ru2 S4 -","2","1","","Woods, Joshua J.; Cao, Jian; Lippert, Alexander R.; Wilson, Justin J.","Characterization and Biological Activity of a Hydrogen Sulfide-Releasing Red Light-Activated Ruthenium(II) Complex.","Journal of the American Chemical Society","2018","140","39","12383","12387","10.1021/jacs.8b08695","","x-ray","1.54184","CuKα","","0.0498","0.0445","","","0.1211","0.1258","","","","","","1.026","","","","has coordinates","242987","2020-10-21","18:00:00",""
"4133153","14.3442","0.0006","13.0303","0.0005","21.5769","0.0009","90","","90","","90","","4032.9","0.3","223","2","223.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H52 Ba Cl N5 O14 -","- C33 H52 Ba Cl N5 O14 -","- C132 H208 Ba4 Cl4 N20 O56 -","4","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","","0.71073","MoKα","","0.0574","0.0347","","","0.0642","0.0706","","","","","","1.06","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133154","18.3741","0.00008","15.68602","0.00006","28.35948","0.00011","90","","92.4109","0.0004","90","","8166.44","0.06","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H51 Ba Cl N6 O13 -","- C35 H51 Ba Cl N6 O13 -","- C280 H408 Ba8 Cl8 N48 O104 -","8","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0273","0.0264","","","0.07","0.0705","","","","","","1.036","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133155","28.8306","0.0001","21.5132","0.0001","13.926","0.0001","90","","90","","90","","8637.44","0.08","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H56 Ba N4 O21 S2 -","- C32 H56 Ba N4 O21 S2 -","- C256 H448 Ba8 N32 O168 S16 -","8","0.5","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0144","0.0142","","","0.0374","0.0375","","","","","","1.133","","","","has coordinates","242988","2020-10-21","18:00:00",""
"4133156","8.0992","0.0003","9.9826","0.0003","10.9592","0.0004","94.4146","0.0012","93.3668","0.0012","110.814","0.0011","822.25","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N Si -","- C19 H23 N Si -","- C38 H46 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.0553","0.0404","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates","242990","2020-10-21","18:00:00",""
"4133157","8.6064","0.0012","11.501","0.0017","12.8161","0.0018","71.48","0.005","71.156","0.005","69.281","0.005","1092.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N Si -","- C26 H29 N Si -","- C52 H58 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.052","0.0431","","","0.1184","0.126","","","","","","1.031","","","","has coordinates","242992","2020-10-21","18:00:00",""
"4133158","8.3674","0.0004","9.8239","0.0005","10.5168","0.0005","84.3339","0.0017","89.5971","0.0018","71.2191","0.0017","814.18","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 F N Si -","- C19 H22 F N Si -","- C38 H44 F2 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.0409","0.0354","","","0.0907","0.0944","","","","","","1.037","","","","has coordinates","242993","2020-10-21","18:00:00",""
"4133159","17.8832","0.0019","9.1254","0.001","23.86","0.003","90","","104.659","0.0019","90","","3767","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cr2 I2 O8 Si2 -","- C24 H54 Cr2 I2 O8 Si2 -","- C96 H216 Cr8 I8 O32 Si8 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0661","0.0398","","","0.0793","0.088","","","","","","1.054","","","","has coordinates,has disorder","242995","2020-10-21","18:00:00",""
"4133160","8.3985","0.0002","12.6561","0.0004","15.8544","0.0004","90","","92.0756","0.0013","90","","1684.09","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cr I O3 -","- C12 H24 Cl2 Cr I O3 -","- C48 H96 Cl8 Cr4 I4 O12 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0361","0.0312","","","0.0896","0.0926","","","","","","1.07","","","","has coordinates","242996","2020-10-21","18:00:00",""
"4133161","10.496","0.0009","17.3331","0.0014","10.989","0.0009","90","","96.7186","0.0012","90","","1985.5","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H70 Cr N2 O8 Si2 -","- C30 H70 Cr N2 O8 Si2 -","- C60 H140 Cr2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0462","0.0382","","","0.0766","0.081","","","","","","1.016","","","","has coordinates","242997","2020-10-21","18:00:00",""
"4133162","13.319","0.0008","13.6739","0.0008","21.8226","0.0013","80.7633","0.0009","80.5611","0.0009","62.7355","0.0009","3468.4","0.4","100.1","","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H111.5 Cr2 I O16 Si4 -","- C49.5 H111.5 Cr2 I O16 Si4 -","- C99 H223 Cr4 I2 O32 Si8 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0453","0.0339","","","0.0964","0.1144","","","","","","1.132","","","","has coordinates,has disorder","242998","2020-10-21","18:00:00",""
"4133163","9.2746","0.0013","14.813","0.002","17.529","0.002","82.759","0.002","87.291","0.002","73.148","0.002","2286.3","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H73 Cr I N2 O8 Si2 -","- C33 H73 Cr I N2 O8 Si2 -","- C66 H146 Cr2 I2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0537","0.0309","","","0.068","0.0806","","","","","","1.044","","","","has coordinates","242999","2020-10-21","18:00:00",""
"4133164","27.7924","0.0018","9.4487","0.0006","42.685","0.003","90","","101.37","0.001","90","","10989.2","1.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43.75 H77 Cr I2 N2 O8 Si2 -","- C43.75 H77 Cr I2 N2 O8 Si2 -","- C350 H616 Cr8 I16 N16 O64 Si16 -","8","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0567","0.0456","","","0.1117","0.1216","","","","","","1.194","","","","has coordinates,has disorder","243000","2020-10-21","18:00:00",""
"4133165","10.4074","0.0009","15.274","0.0014","17.3686","0.0017","114.788","0.005","90.356","0.005","109.864","0.005","2321.4","0.4","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H78 Cr I O11 Si2 -","- C36 H78 Cr I O11 Si2 -","- C72 H156 Cr2 I2 O22 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.1163","0.0977","","","0.2493","0.2593","","","","","","1.247","","","","has coordinates","243001","2020-10-21","18:00:00",""
"4133166","16.4739","0.0012","17.6022","0.0012","20.0801","0.0014","90","","109.305","0.0011","90","","5495.3","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H87 Cl2 Cr2 I O12 Si2 -","- C41 H87 Cl2 Cr2 I O12 Si2 -","- C164 H348 Cl8 Cr8 I4 O48 Si8 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0726","0.0439","","","0.0985","0.1152","","","","","","1.099","","","","has coordinates,has disorder","243002","2020-10-21","18:00:00",""
"4133167","13.6739","0.0004","14.7859","0.0004","19.0519","0.0005","94.5434","0.0014","107.625","0.0014","93.1097","0.0014","3647.15","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H116 Cr2 I2 O16 Si4 -","- C52 H116 Cr2 I2 O16 Si4 -","- C104 H232 Cr4 I4 O32 Si8 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0396","0.0287","","","0.0641","0.0704","","","","","","1.05","","","","has coordinates,has disorder","243003","2020-10-21","18:00:00",""
"4133168","10.0937","0.0014","11.5433","0.0016","21.451","0.003","79.581","0.003","89.987","0.003","66.108","0.003","2240.1","0.5","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H62 Cr2 I4 O8 Si2 -","- C28 H62 Cr2 I4 O8 Si2 -","- C56 H124 Cr4 I8 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0784","0.0654","","","0.1821","0.1941","","","","","","1.069","","","","has coordinates,has disorder","243004","2020-10-21","18:00:00",""
"4133169","11.379","0.002","11.659","0.002","18.521","0.004","90","","102.867","0.004","90","","2395.4","0.8","100","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C16 H40 Cl2 Cr I N4 O -","- C16 H40 Cl2 Cr I N4 O -","- C64 H160 Cl8 Cr4 I4 N16 O4 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.1768","0.1002","","","0.1315","0.1499","","","","","","1.131","","","","has coordinates","243005","2020-10-21","18:00:00",""
"4133170","10.5685","0.0002","13.0804","0.0003","23.2344","0.0005","80.624","0.0019","80.4638","0.0017","85.7415","0.0017","3121.54","0.12","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","1","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0436","0.0374","","","0.0796","0.0834","","","","","","1.015","","","","has coordinates,has disorder","243006","2020-10-21","18:00:00",""
"4133171","10.8014","0.0003","22.6917","0.0005","24.9802","0.0006","90","","93.912","0.002","90","","6108.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Cu K2 N12 O8.43 -","- C60 H76 Cu K2 N12 O8.425 -","- C240 H304 Cu4 K8 N48 O33.7 -","4","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0516","0.0371","","","0.0892","0.0966","","","","","","1.032","","","","has coordinates,has disorder","243007","2020-10-21","18:00:00",""
"4133172","10.5275","0.0003","12.676","0.0004","13.3299","0.0004","107.227","0.003","102.602","0.003","113.837","0.003","1433.19","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0375","0.031","","","0.0734","0.0769","","","","","","1.026","","","","has coordinates","243008","2020-10-21","18:00:00",""
"4133173","13.8966","0.0003","14.4757","0.0003","18.7995","0.0004","83.2946","0.0019","78.288","0.002","72.69","0.002","3528.88","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cu K2 N14 O10 -","- C64 H86 Cu K2 N14 O10 -","- C128 H172 Cu2 K4 N28 O20 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0535","0.0374","","","0.0859","0.0939","","","","","","1.023","","","","has coordinates,has disorder","243009","2020-10-21","18:00:00",""
"4133174","10.4164","0.0003","12.635","0.0003","13.0917","0.0004","115.77","0.003","91.641","0.003","114.016","0.003","1372.35","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cu K2 N12 O8 -","- C52 H60 Cu K2 N12 O8 -","- C52 H60 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0326","0.0288","","","0.0705","0.0728","","","","","","1.03","","","","has coordinates","243010","2020-10-21","18:00:00",""
"4133175","14.10475","0.00017","22.8433","0.0002","17.8727","0.0002","90","","90","","90","","5758.57","0.11","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C192 H336 Cu4 K8 N48 O32 -","4","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.078","0.0674","","","0.1931","0.2076","","","","","","1.092","","","","has coordinates,has disorder","243011","2020-10-21","18:00:00",""
"4133176","14.1664","0.0003","16.1836","0.0004","14.5015","0.0003","90","","98.339","0.002","90","","3289.51","0.13","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H84 Cu K2 N12 O8 -","- C64 H84 Cu K2 N12 O8 -","- C128 H168 Cu2 K4 N24 O16 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0363","0.0314","","","0.0653","0.0675","","","","","","1.021","","","","has coordinates,has disorder","243012","2020-10-21","18:00:00",""
"4133177","10.5273","0.0006","11.4588","0.0008","12.4511","0.0007","67.423","0.006","89.508","0.005","74.316","0.006","1327.56","0.16","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 Cu K2 N12 O8 -","- C44 H76 Cu K2 N12 O8 -","- C44 H76 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.0381","0.0363","","","0.0999","0.1021","","","","","","1.078","","","","has coordinates","243013","2020-10-21","18:00:00",""
"4133178","22.0617","0.0003","19.6394","0.0003","19.1538","0.0004","90","","90","","90","","8298.9","0.2","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H62 Cu K2 N10 O6 -","- C30 H62 Cu K2 N10 O6 -","- C240 H496 Cu8 K16 N80 O48 -","8","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.041","0.0324","","","0.0796","0.0846","","","","","","1.05","","","","has coordinates,has disorder","243014","2020-10-21","18:00:00",""
"4133179","23.4541","0.0005","22.9965","0.0004","20.0455","0.0005","90","","112.559","0.003","90","","9984.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H120 Cu2 K4 N24 O16 -","- C88 H120 Cu2 K4 N24 O16 -","- C352 H480 Cu8 K16 N96 O64 -","4","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0521","0.0375","","","0.0867","0.0945","","","","","","1.033","","","","has coordinates,has disorder","243015","2020-10-21","18:00:00",""
"4133180","22.378","0.002","22.378","0.002","7.1487","0.0007","90","","90","","120","","3100.3","0.5","100","0.1","100","0.1","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C42 H99 Cl6 N6 O16.5 -","- C42 H66 Cl6 N6 O16.4999 -","- C84 H132 Cl12 N12 O32.9998 -","2","0.333333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.118","0.1137","","","0.3002","0.3072","","","","","","1.372","","","","has coordinates,has disorder","243016","2020-10-21","18:00:00",""
"4133181","43.918","0.002","43.918","0.002","13.7792","0.0008","90","","90","","120","","23017","2","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C42 H66 Cl6 I0.84 N6 -","- C42 H66 Cl6 I0.84375 N6 -","- C672 H1056 Cl96 I13.5 N96 -","16","5.33333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.2326","0.2189","","","0.4973","0.512","","","","","","2.383","","","","has coordinates,has disorder","243017","2020-10-21","18:00:00",""
"4133182","15.0781","0.0006","19.0103","0.0007","29.5991","0.0016","90","","90","","90","","8484.3","0.6","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C46 H56 Br N4 Ni -","- C46 H56 Br N4 Ni -","- C368 H448 Br8 N32 Ni8 -","8","0.25","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","1.34138","GaKα","","0.0928","0.0866","","","0.2476","0.2514","","","","","","1.136","","","","has coordinates","243018","2020-10-21","18:00:00",""
"4133183","12.6355","0.0007","8.3115","0.0005","19.5467","0.0011","90","","97.342","0.002","90","","2036","0.2","223","2","223","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H56 N4 Ni -","- C46 H56 N4 Ni -","- C92 H112 N8 Ni2 -","2","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0453","0.0379","","","0.101","0.1055","","","","","","1.076","","","","has coordinates","243019","2020-10-21","18:00:00",""
"4133184","19.6677","0.001","14.8601","0.0007","14.6996","0.0008","90","","90","","90","","4296.2","0.4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H56 Br2 N4 Ni -","- C46 H56 Br2 N4 Ni -","- C184 H224 Br8 N16 Ni4 -","4","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0694","0.0363","","","0.0785","0.0918","","","","","","1.032","","","","has coordinates","243020","2020-10-21","18:00:00",""
"4133185","28.438","0.004","16.021","0.002","17.035","0.002","90","","116.691","0.002","90","","6934.2","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H105 Cl3 N2 O19 S2 V6 -","- C49.4994 H102.998 Cl3 N2 O19 S1.9998 V6 -","- C197.998 H411.994 Cl12 N8 O76 S7.9992 V24 -","4","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0651","0.0516","","","0.1413","0.1509","","","","","","1.062","","","","has coordinates,has disorder","243021","2020-10-21","18:00:00",""
"4133186","10.7421","0.0015","18.328","0.003","16.454","0.002","90","","90.571","0.003","90","","3239.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H98 N2 O19 S2 V6 -","- C54 H98 N2 O19 S2 V6 -","- C108 H196 N4 O38 S4 V12 -","2","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0676","0.0428","","","0.1088","0.1141","","","","","","0.958","","","","has coordinates,has disorder","243022","2020-10-21","18:00:00",""
"4133187","25.81","0.0012","25.81","0.0014","26.8358","0.0011","90","","90","","120","","15481.8","1.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H103.6 Cl1.6 N2 O19.8 S2 V6 -","- C44 H92.248 N2 O19 S2 V6 -","- C396 H830.232 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0809","0.058","","","0.15","0.17","","","","","","1.039","","","","has coordinates,has disorder","243023","2020-10-21","18:00:00",""
"4133188","13.357","0.003","15.425","0.003","15.865","0.003","87.435","0.003","82.492","0.003","73.74","0.003","3110.9","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H89.5 Cl1.5 F6 N2 O19 S2 V6 -","- C44.75 H89.5 Cl1.5 F6 N2 O19 S2 V6 -","- C89.5 H179 Cl3 F12 N4 O38 S4 V12 -","2","1","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0885","0.0604","","","0.1657","0.188","","","","","","1.033","","","","has coordinates,has disorder","243024","2020-10-21","18:00:00",""
"4133189","25.7726","0.0011","25.7726","0.0011","26.9789","0.0012","90","","90","","120","","15519.3","1.2","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H102 Cl4 N2 O19 S2 V6 -","- C45.138 H91.482 N2 O19 S2 V6 -","- C406.242 H823.338 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0706","0.0552","","","0.151","0.1644","","","","","","1.048","","","","has coordinates,has disorder","243025","2020-10-21","18:00:00",""
"4133190","12.3292","0.001","24.206","0.002","23.3258","0.0019","90","","91.057","0.002","90","","6960.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 N2 O19 S2 V6 -","- C62.444 H86.298 N2 O19 S2 V6 -","- C249.776 H345.192 N8 O76 S8 V24 -","4","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.1121","0.0633","","","0.1531","0.1802","","","","","","1.025","","","","has coordinates,has disorder","243026","2020-10-21","18:00:00",""
"4133191","10.7657","0.0007","11.8832","0.0009","14.3028","0.001","96.927","0.004","104.549","0.004","116.762","0.003","1522.5","0.2","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2.2 H2.8 O0.8 -","- C2.2 H2.8 O0.8 -","- C66 H84 O24 -","30","15","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.1555","0.0745","","","0.1324","0.1727","","","","","","1.061","","","","has coordinates","243027","2020-10-21","18:00:00",""
"4133192","8.582","0.001","9.142","0.0012","10.6911","0.0014","98.618","0.008","93.721","0.007","96.898","0.007","820.37","0.18","166","2","166","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O6 -","- C17 H17 F O6 -","- C34 H34 F2 O12 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.1591","0.0648","","","0.139","0.178","","","","","","1.006","","","","has coordinates,has disorder","243028","2020-10-21","18:00:00",""
"4133193","14.7312","0.0014","10.3767","0.001","15.206","0.0016","90","","90","","90","","2324.4","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O6 -","- C11 H15 O6 -","- C88 H120 O48 -","8","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133194","8.1399","0.0007","8.1896","0.0006","14.1026","0.0011","77.958","0.004","87.753","0.004","61.189","0.004","803.55","0.12","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2.25 H2.5 O0.75 -","- C18 H20 O6.006 -","- C36 H40 O12.012 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.116","0.0596","","","0.1259","0.1524","","","","","","1.016","","","","has coordinates,has disorder","243030","2020-10-21","18:00:00",""
"4133195","13.5011","0.0009","6.1459","0.0004","24.3994","0.0014","90","","105.244","0.002","90","","1953.3","0.2","150","2","149.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0838","0.0477","","","0.11","0.1285","","","","","","1.025","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133196","8.8949","0.001","9.8794","0.0009","10.4047","0.0012","114.453","0.005","98.559","0.006","94.609","0.005","812.74","0.16","150","2","149.99","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0835","0.0461","","","0.1113","0.1297","","","","","","1.055","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133197","11.0702","0.0016","9.1717","0.0013","16.694","0.002","90","","91.027","0.003","90","","1694.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.071","0.0577","","","0.1494","0.1579","","","","","","1.059","","","","has coordinates,has disorder","243033","2020-10-21","18:00:00",""
"4133198","9.116","0.007","13.014","0.015","12.764","0.011","90","","106.22","0.07","90","","1454","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0883","0.0657","","","0.1538","0.1654","","","","","","1.091","","","","has coordinates,has disorder","243034","2020-10-21","18:00:00",""
"4133199","11.39","0.002","31.815","0.006","17.352","0.003","90","","92.79","0.03","90","","6280","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C272 H224 F48 N48 O48 -","16","4","","Kim, Hyunwoo; Heo, Joon; Kim, Junho; Baik, Mu-Hyun; Chang, Sukbok","Copper-Mediated Amination of Aryl C-H Bonds with the Direct Use of Aqueous Ammonia via a Disproportionation Pathway.","Journal of the American Chemical Society","2018","140","43","14350","14356","10.1021/jacs.8b08826","","","0.67","synchrotron","","0.0477","0.0422","","","0.112","0.1159","","","","","","1.048","","","","has coordinates","243035","2020-10-21","18:00:00",""
"4133200","14.0798","0.0005","10.3541","0.0004","26.2464","0.001","90","","91.818","0.002","90","","3824.4","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 -","- C56 H46 -","- C224 H184 -","4","0.5","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0626","0.0579","","","0.1384","0.1413","","","","","","1.084","","","","has coordinates","243037","2020-10-21","18:00:00",""
"4133201","12.8513","0.001","62.643","0.006","9.5148","0.0009","90","","90","","90","","7659.8","1.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C432 H320 O48 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0989","0.0525","","","0.097","0.125","","","","","","1.042","","","","has coordinates","243038","2020-10-21","18:00:00",""
"4133202","13.736","0.004","56.462","0.016","9.796","0.003","90","","90","","90","","7597","4","100","2","100","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C28 H22 -","- C28 H22 -","- C448 H352 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0991","0.0729","","","0.1654","0.1778","","","","","","1.046","","","","has coordinates","243039","2020-10-21","18:00:00",""
"4133203","10.9292","0.0004","13.6903","0.0005","13.1466","0.0005","90","","90.262","0.003","90","","1967.03","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C96 H96 O8 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0603","0.0463","","","0.1106","0.1195","","","","","","1.043","","","","has coordinates","243040","2020-10-21","18:00:00",""
"4133204","13.9317","0.0007","11.1577","0.0004","11.7175","0.0005","90","","112.171","0.006","90","","1686.76","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0788","0.0539","","","0.1339","0.1535","","","","","","1.048","","","","has coordinates","243041","2020-10-21","18:00:00",""
"4133205","8.6308","0.0007","13.3546","0.0012","15.575","0.0014","90","","90","","90","","1795.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O4 S -","- C16 H16 F3 N O4 S -","- C64 H64 F12 N4 O16 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.1074","0.0699","","","0.1695","0.2003","","","","","","1.036","","","","has coordinates","243042","2020-10-21","18:00:00",""
"4133206","11.8908","0.0004","14.2458","0.0005","9.8084","0.0003","90","","90","","90","","1661.48","0.1","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0506","0.0401","","","0.0998","0.1091","","","","","","1.072","","","","has coordinates,has disorder","243043","2020-10-21","18:00:00",""
"4133207","9.8881","0.0015","5.814","0.0009","9.7349","0.0015","90","","90","","90","","559.65","0.15","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","0.5","","Taniguchi, Tohru; Suzuki, Takahiro; Satoh, Haruka; Shichibu, Yukatsu; Konishi, Katsuaki; Monde, Kenji","Preparation of Carbodiimides with One-Handed Axial Chirality.","Journal of the American Chemical Society","2018","140","46","15577","15581","10.1021/jacs.8b08969","","","0.71073","MoKα","","0.0526","0.0351","","","0.0708","0.0784","","","","","","1.051","","","","has coordinates","243044","2020-10-21","18:00:00",""
"4133208","17.302","0.002","17.302","0.002","17.302","0.002","90","","90","","90","","5179.5","1","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","a-ZIF-65(Zn)","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.7","synchrotron","","0.0529","0.0348","","","0.0908","0.1022","","","","","","1.052","","","","has coordinates","243045","2020-10-21","18:00:00",""
"4133209","17.3893","0.0003","17.3893","0.0003","17.3893","0.0003","90","","90","","90","","5258.31","0.16","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","a-ZIF-65(Zn)","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.71073","MoKα","","0.0697","0.032","","","0.0665","0.076","","","","","","0.899","","","","has coordinates","243046","2020-10-21","18:00:00",""
"4133210","34.502","0.004","34.502","0.004","34.502","0.004","90","","90","","90","","41071","8","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","b-ZIF-65(Zn)","","","- C12 H8 N12 O8 Zn2 -","- C12 H8 N12 O8 Zn2 -","- C576 H384 N576 O384 Zn96 -","48","1","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.61","synchrotron","","0.068","0.0467","","","0.1433","0.1499","","","","","","1.069","","","","has coordinates","243047","2020-10-21","18:00:00",""
"4133211","34.6372","0.0002","34.6372","0.0002","34.6372","0.0002","90","","90","","90","","41555.5","0.4","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C12 H8 N12 O8 Zn2 -","- C12 H8 N12 O8 Zn2 -","- C576 H384 N576 O384 Zn96 -","48","1","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.71073","MoKα","","0.0828","0.0487","","","0.12","0.1391","","","","","","1.015","","","","has coordinates","243048","2020-10-21","18:00:00",""
"4133212","12.1823","0.0003","16.0289","0.0004","13.5075","0.0003","90","","109.227","0.0014","90","","2490.47","0.11","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H60 Br Cl N4 O5 -","- C59 H60 Br Cl N4 O5 -","- C118 H120 Br2 Cl2 N8 O10 -","2","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0405","0.0354","","0.0918","0.089","0.0918","","","","","","1.0051","","","","has coordinates,has disorder","243049","2020-10-21","18:00:00",""
"4133213","7.4084","0.0002","13.4101","0.0005","20.1483","0.0006","90","","90","","90","","2001.68","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F3 N4 O3 -","- C20 H19 F3 N4 O3 -","- C80 H76 F12 N16 O12 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","1.54178","CuKα","","0.0271","0.0262","","0.0685","0.0677","0.0685","","","","","","0.9959","","","","has coordinates","243050","2020-10-21","18:00:00",""
"4133214","15.5144","0.0005","15.5144","0.0005","53.2848","0.0017","90","","90","","90","","12825.5","0.7","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","binh-02-60","","","- C53 H47 Br Cl3 N3 O2 -","- C53 H47 Br Cl3 N3 O2 -","- C424 H376 Br8 Cl24 N24 O16 -","8","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.097","0.0618","","","0.1591","0.1849","","","","","","1.025","","","","has coordinates","243051","2020-10-21","18:00:00",""
"4133215","35.1304","0.001","11.2909","0.0003","12.404","0.0004","90","","90","","90","","4920.1","0.2","120","","120","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56.91 H52.86 Br Cl N6.95 O2.55 -","- C56.906 H52.859 Br Cl N6.953 O2.547 -","- C227.624 H211.436 Br4 Cl4 N27.812 O10.188 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0985","0.0852","","0.216","0.2117","0.216","","","","","","1.0183","","","","has coordinates,has disorder","243052","2020-10-21","18:00:00",""
"4133216","12.846","0.0009","50.973","0.004","15.908","0.0011","90","","113.212","0.002","90","","9573.4","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Co3 N18 O6 -","- C78 H82 Co3 N18 O6 -","- C312 H328 Co12 N72 O24 -","4","0.5","","Li, Bao; Wang, Xiao-Ning; Kirchon, Angelo; Qin, Jun-Sheng; Pang, Jian-Dong; Zhuang, Gui-Lin; Zhou, Hong-Cai","Sophisticated Construction of Electronically Labile Materials: A Neutral, Radical-Rich, Cobalt Valence Tautomeric Triangle.","Journal of the American Chemical Society","2018","140","44","14581","14585","10.1021/jacs.8b09062","","","1.54178","CuKα","","0.1762","0.1224","","","0.3259","0.356","","","","","","1.262","","","","has coordinates","243053","2020-10-21","18:00:00",""
"4133217","15.759","0.0012","13.8266","0.0009","23.4425","0.0017","90","","94.27","0.004","90","","5093.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 N O3 P V -","- C56 H50 N4 O3 P V -","- C224 H200 N16 O12 P4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2377","0.1028","","","0.2507","0.3228","","","","","","1.017","","","","has coordinates","243054","2020-10-21","18:00:00",""
"4133218","13.07","0.004","26.267","0.009","33.074","0.011","90","","90.71","0.02","90","","11354","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 Co N O P V -","- C68 H70 Co N4 O P V -","- C544 H560 Co8 N32 O8 P8 V8 -","8","2","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.3452","0.0997","","","0.112","0.1749","","","","","","0.937","","","","has coordinates","243055","2020-10-21","18:00:00",""
"4133219","12.989","0.014","13.604","0.011","31.33","0.06","90","","92.53","0.13","90","","5531","13","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 Cl4 F3 N O4 P S Si V -","- C54 H53 Cl4 F3 N4 O4 P S Si V -","- C216 H212 Cl16 F12 N16 O16 P4 S4 Si4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.4212","0.1316","","","0.2138","0.3371","","","","","","0.883","","","","has coordinates","243056","2020-10-21","18:00:00",""
"4133220","22.904","0.004","18.478","0.002","9.8154","0.0017","90","","98.016","0.009","90","","4113.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 F10 N4 O P V -","- C48 H30 F10 N4 O P V -","- C192 H120 F40 N16 O4 P4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2421","0.141","","","0.2652","0.29","","","","","","1.178","","","","has coordinates","243057","2020-10-21","18:00:00",""
"4133221","11.123","0.002","11.304","0.002","20.103","0.004","86.349","0.004","83.12","0.004","64.869","0.004","2271.7","0.7","99","2","99","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H39 F10 N O P Si V -","- C51 H39 F10 N4 O P Si V -","- C102 H78 F20 N8 O2 P2 Si2 V2 -","2","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.0776","0.046","","","0.0894","0.1016","","","","","","1.008","","","","has coordinates","243058","2020-10-21","18:00:00",""
"4133222","13.735","0.006","13.546","0.006","40.419","0.016","90","","92.518","0.004","90","","7513","6","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C79 H47 B Cl2 F30 N O P Si V -","- C79 H47 B Cl2 F30 N4 O P Si V -","- C316 H188 B4 Cl8 F120 N16 O4 P4 Si4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2855","0.0931","","","0.1918","0.2668","","","","","","0.938","","","","has coordinates","243059","2020-10-21","18:00:00",""
"4133223","15.851","0.003","17.848","0.004","41.744","0.01","90","","97.977","0.014","90","","11695","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71 H62 Co F10.5 N O P V -","- C71 H62 Co F10.5 N4 O P V -","- C568 H496 Co8 F84 N32 O8 P8 V8 -","8","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2109","0.1751","","","0.4086","0.4246","","","","","","1.202","","","","has coordinates","243060","2020-10-21","18:00:00",""
"4133224","10.07","0.008","11.163","0.009","20.61","0.018","91.307","0.018","101.044","0.018","92.562","0.017","2270","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H49 N O P Si V -","- C51 H49 N4 O P Si V -","- C102 H98 N8 O2 P2 Si2 V2 -","2","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.1703","0.0728","","","0.1591","0.203","","","","","","0.952","","","","has coordinates,has disorder","243061","2020-10-21","18:00:00",""
"4133225","13.0759","0.0009","13.57","0.0011","22.569","0.0016","74.875","0.006","89.235","0.006","89.21","0.006","3865.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H67 Cl8 N -","- C99 H68 Cl8 N -","- C198 H136 Cl16 N2 -","2","1","","Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Tanaka, Takayuki; Herng, Tun Seng; Ding, Jun; Osuka, Atsuhiro; Wu, Jishan","Superoctazethrene: An Open-Shell Graphene-like Molecule Possessing Large Diradical Character but Still with Reasonable Stability.","Journal of the American Chemical Society","2018","140","43","14054","14058","10.1021/jacs.8b09075","","","1.54184","CuKα","","0.2775","0.1169","","","0.2877","0.4086","","","","","","1.013","","","","has coordinates","243062","2020-10-21","18:00:00",""
"4133226","17.612","0.002","17.855","0.002","18.518","0.002","103.889","0.006","97.137","0.006","91.927","0.006","5597","1.1","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H80 O4 -","- C70 H80 O4 -","- C280 H320 O16 -","4","2","","Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Tanaka, Takayuki; Herng, Tun Seng; Ding, Jun; Osuka, Atsuhiro; Wu, Jishan","Superoctazethrene: An Open-Shell Graphene-like Molecule Possessing Large Diradical Character but Still with Reasonable Stability.","Journal of the American Chemical Society","2018","140","43","14054","14058","10.1021/jacs.8b09075","","","1.54178","CuKα","","0.1699","0.1534","","","0.3955","0.4034","","","","","","1.078","","","","has coordinates,has disorder","243063","2020-10-21","18:00:00",""
"4133229","7.654","0.0004","17.305","0.0009","10.5413","0.0006","90","","107.269","0.002","90","","1333.28","0.13","150","0.1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 K O -","- C13 H19 K O -","- C52 H76 K4 O4 -","4","1","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0662","0.0536","","","0.1534","0.166","","","","","","1.051","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133230","7.3832","0.0005","8.9146","0.0006","11.0651","0.0008","90","","99.998","0.002","90","","717.23","0.09","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Yb -","- C18 H18 Yb -","- C36 H36 Yb2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.055","0.0401","","","0.1127","0.1182","","","","","","1.368","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133231","7.3082","0.0004","9.0727","0.0005","11.3296","0.0006","90","","99.968","0.002","90","","739.87","0.07","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Sm -","- C18 H18 Sm -","- C36 H36 Sm2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0411","0.0197","","","0.0537","0.0645","","","","","","0.99","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133232","13.5501","0.0004","12.9804","0.0004","8.9048","0.0003","90","","90","","90","","1566.23","0.09","150","0.1","150","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C34 H50 O4 Yb -","- C34 H50 O4 Yb -","- C68 H100 O8 Yb2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0209","0.0203","","","0.0516","0.0518","","","","","","1.062","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133233","21.525","0.003","22.637","0.003","14.4941","0.0019","90","","106.479","0.004","90","","6772.3","1.6","150","0.1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N7 Yb -","- C32 H39 N7 Yb -","- C256 H312 N56 Yb8 -","8","2","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0938","0.0786","","","0.1925","0.2","","","","","","1.17","","","","has coordinates","243066","2020-10-21","18:00:00",""
"4133234","7.3412","0.0005","8.8404","0.0005","11.1729","0.0007","90","","100.906","0.002","90","","712.02","0.08","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Tm -","- C18 H18 Tm -","- C36 H36 Tm2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0396","0.0219","","","0.056","0.0647","","","","","","0.988","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133235","5.551","0.0003","10.2724","0.0005","27.7122","0.0013","90","","90","","90","","1580.21","0.14","146","2","146","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","C12H13N2O4S","","","- C13 H16 Cl2 N2 O4 S -","- C13 H16 Cl2 N2 O4 S -","- C52 H64 Cl8 N8 O16 S4 -","4","1","","Mavila, Sudheendran; Worrell, Brady T.; Culver, Heidi R.; Goldman, Trevor M.; Wang, Chen; Lim, Chern-Hooi; Domaille, Dylan W.; Pattanayak, Sankha; McBride, Matthew K.; Musgrave, Charles B.; Bowman, Christopher N.","Dynamic and Responsive DNA-like Polymers.","Journal of the American Chemical Society","2018","140","42","13594","13598","10.1021/jacs.8b09105","","","0.71073","MoKα","","0.0423","0.0365","","","0.0913","0.0958","","","","","","1.044","","","","has coordinates","243067","2020-10-21","18:00:00",""
"4133236","29.0474","0.0007","11.7153","0.0003","13.2128","0.0003","90","","97.585","0.0012","90","","4456.96","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C59 H80 O -","- C59 H80 O -","- C236 H320 O4 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0555","0.0435","","","0.1107","0.1166","","","","","","1.076","","","","has coordinates","243068","2020-10-21","18:00:00",""
"4133237","10.593","0.002","19.456","0.004","21.861","0.006","90","","118.01","0.02","90","","3977.7","1.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Cl9 -","- C39 H51 Cl9 -","- C156 H204 Cl36 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.212","0.0635","","","0.1124","0.1508","","","","","","0.823","","","","has coordinates,has disorder","243069","2020-10-21","18:00:00",""
"4133238","20.4549","0.0005","19.4089","0.0005","23.0083","0.0006","90","","94.7795","0.0014","90","","9102.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H76 O -","- C55.0028 H76.0038 O1.00005 -","- C440.022 H608.03 O8.0004 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.1131","0.104","","","0.2985","0.3092","","","","","","1.038","","","","has coordinates,has disorder","243070","2020-10-21","18:00:00",""
"4133239","11.3602","0.0013","21.871","0.002","32.332","0.004","90","","90","","90","","8033.2","1.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Cl -","- C26 H33 Cl -","- C416 H528 Cl16 -","16","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1192","0.0694","","","0.1367","0.1575","","","","","","1.028","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4133240","13.8958","0.0005","14.0534","0.0005","14.3343","0.0005","77.366","0.0014","70.7236","0.0013","78.8692","0.0014","2556.05","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C140 H108 O2 -","- C140 H108 O2 -","- C140 H108 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0709","0.0481","","","0.1046","0.1149","","","","","","1.042","","","","has coordinates,has disorder","243072","2020-10-21","18:00:00",""
"4133241","10.086","0.002","34.47","0.007","9.927","0.002","90","","94.27","0.03","90","","3441.7","1.2","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Br -","- C37 H51 Br -","- C148 H204 Br4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.082","0.0455","","","0.1103","0.126","","","","","","0.973","","","","has coordinates,has disorder","243073","2020-10-21","18:00:00",""
"4133242","15.5467","0.0015","15.551","0.0015","20.3357","0.0019","69.259","0.003","86.608","0.003","81.081","0.003","4542.2","0.8","101","2","101","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H76 -","- C55 H76 -","- C220 H304 -","4","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1266","0.0909","","","0.2416","0.2663","","","","","","1.06","","","","has coordinates,has disorder","243074","2020-10-21","18:00:00",""
"4133243","10.1775","0.0004","34.3842","0.0014","9.6944","0.0004","90","","95.3263","0.0013","90","","3377.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl -","- C36.9988 H50.9983 Cl -","- C147.995 H203.993 Cl4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0621","0.0506","","","0.1237","0.1301","","","","","","1.065","","","","has coordinates,has disorder","243075","2020-10-21","18:00:00",""
"4133244","18.4517","0.001","38.562","0.002","11.4056","0.0006","90","","90","","90","","8115.5","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H33 I -","- C26 H33 I -","- C416 H528 I16 -","16","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0187","0.0183","","","0.041","0.0411","","","","","","1.23","","","","has coordinates","243076","2020-10-21","18:00:00",""
"4133245","23.5536","0.001","13.4374","0.0005","21.2696","0.0008","90","","97.976","0.003","90","","6666.7","0.5","173","0.1","173","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C74 H102 O2 -","- C74 H102 O2 -","- C296 H408 O8 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","x-ray","1.54184","CuKα","","0.1109","0.0813","","","0.2304","0.2667","","","","","","1.068","","","","has coordinates,has disorder","243077","2020-10-21","18:00:00",""
"4133246","11.5417","0.0006","6.9746","0.0004","24.1738","0.0013","90","","93.308","0.002","90","","1942.72","0.18","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 -","- C26 H34 -","- C104 H136 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0631","0.0604","","","0.1424","0.144","","","","","","1.15","","","","has coordinates","243078","2020-10-21","18:00:00",""
"4133247","14.0036","0.0005","30.433","0.0011","18.9714","0.0007","90","","111.484","0.0014","90","","7523.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 O -","- C43 H64 O -","- C344 H512 O8 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0718","0.0517","","","0.1163","0.1262","","","","","","1.035","","","","has coordinates,has disorder","243079","2020-10-21","18:00:00",""
"4133248","14.2696","0.0008","37.998","0.002","14.4381","0.0008","90","","95.9972","0.0019","90","","7785.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 O -","- C43 H64 O -","- C344 H512 O8 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0861","0.0615","","","0.132","0.1422","","","","","","1.077","","","","has coordinates,has disorder","243080","2020-10-21","18:00:00",""
"4133249","23.2294","0.0011","23.2294","0.0011","10.0567","0.0005","90","","90","","120","","4699.6","0.4","100","2","100","2","","","","","","","","2","P 3","P 3","143","","","","- C37 H52 -","- C37 H52 -","- C222 H312 -","6","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0967","0.0801","","","0.2068","0.221","","","","","","1.046","","","","has coordinates,has disorder","243081","2020-10-21","18:00:00",""
"4133250","12.6525","0.0005","9.5748","0.0004","17.5463","0.0007","90","","109.533","0.0014","90","","2003.31","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O -","- C25 H28 O -","- C100 H112 O4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0545","0.045","","","0.1144","0.1203","","","","","","1.017","","","","has coordinates","243082","2020-10-21","18:00:00",""
"4133251","25.9425","0.0018","15.1325","0.001","25.2819","0.0017","90","","103.379","0.0019","90","","9655.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C114 H158 O3 -","- C114 H158 O3 -","- C456 H632 O12 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0686","0.0631","","","0.1626","0.1668","","","","","","1.087","","","","has coordinates,has disorder","243083","2020-10-21","18:00:00",""
"4133252","20.4052","0.0016","18.9266","0.0014","23.252","0.0017","90","","93.788","0.002","90","","8960.3","1.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C110 H151 -","- C110.018 H151.025 -","- C440.072 H604.1 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0857","0.0663","","","0.1679","0.1827","","","","","","1.029","","","","has coordinates,has disorder","243084","2020-10-21","18:00:00",""
"4133253","11.309","0.0005","13.9251","0.0006","14.1513","0.0006","119.435","0.0014","91.4672","0.0018","97.0346","0.0017","1916.74","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C110 H78 O2 -","- C110 H78 O2 -","- C110 H78 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.063","0.0482","","","0.1133","0.1208","","","","","","1.038","","","","has coordinates","243085","2020-10-21","18:00:00",""
"4133254","16.1705","0.0017","16.7215","0.0017","17.0809","0.0017","96.565","0.004","110.299","0.004","111.443","0.004","3875","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C200 H240 O2 -","- C200 H240 O2 -","- C200 H240 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0768","0.0527","","","0.1215","0.1338","","","","","","1.026","","","","has coordinates,has disorder","243086","2020-10-21","18:00:00",""
"4133255","11.8324","0.0005","11.8564","0.0004","12.4505","0.0005","93.443","0.002","91.068","0.002","105.257","0.002","1681","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H72 N2 O12 -","- C70 H72 N2 O12 -","- C70 H72 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0756","0.0527","","","0.1293","0.1418","","","","","","1.04","","","","has coordinates,has disorder","243087","2020-10-21","18:00:00",""
"4133256","17.8845","0.0007","15.4597","0.0006","25.0685","0.0009","90","","97.972","0.003","90","","6864.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H78 N8 O10 -","- C75 H78 N8 O10 -","- C300 H312 N32 O40 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1598","0.0834","","","0.2202","0.2633","","","","","","1.037","","","","has coordinates","243088","2020-10-21","18:00:00",""
"4133257","13.6519","0.0008","15.7069","0.0009","17.7443","0.001","90","","93.209","0.003","90","","3798.9","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C84 H86 N2 O11 -","- C84 H86 N2 O11 -","- C168 H172 N4 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1113","0.1025","","","0.3437","0.3583","","","","","","1.632","","","","has coordinates,has disorder","243089","2020-10-21","18:00:00",""
"4133258","11.8762","0.0005","12.101","0.0005","12.2447","0.0005","90.885","0.001","92.499","0.002","103.131","0.002","1711.51","0.12","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H75 N3 O11 -","- C70 H75 N3 O11 -","- C70 H75 N3 O11 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0869","0.0818","","","0.3078","0.32","","","","","","1.507","","","","has coordinates,has disorder","243090","2020-10-21","18:00:00",""
"4133259","11.551","0.0008","16.7298","0.0011","17.9121","0.0012","90","","94.897","0.003","90","","3448.8","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C70 H72 N4 O11 -","- C70 H72 N4 O11 -","- C140 H144 N8 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0679","0.0568","","","0.1514","0.1589","","","","","","1.044","","","","has coordinates","243091","2020-10-21","18:00:00",""
"4133260","11.6938","0.0008","12.648","0.001","13.6896","0.0009","111.697","0.004","112.056","0.005","96.412","0.004","1668.2","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H74 N2 O12 -","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1289","0.1086","","","0.3536","0.3736","","","","","","1.56","","","","has coordinates,has disorder","243092","2020-10-21","18:00:00",""
"4133261","11.9576","0.001","12.13","0.001","12.1777","0.001","91.122","0.004","92.4","0.003","103.052","0.004","1718.4","0.2","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.0618","0.0577","","","0.1515","0.1548","","","","","","1.042","","","","has coordinates,has disorder","243093","2020-10-21","18:00:00",""
"4133262","14.1297","0.0004","15.4771","0.0005","17.635","0.0005","90.663","0.001","94.291","0.001","113.283","0.001","3528.98","0.18","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N6 O11 -","- C82 H88 N6 O11 -","- C164 H176 N12 O22 -","2","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0516","0.0474","","","0.1249","0.1286","","","","","","1.031","","","","has coordinates","243094","2020-10-21","18:00:00",""
"4133263","16.721","0.007","16.773","0.008","25.853","0.015","90","","100.627","0.017","90","","7126","6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H91 N7 O10 -","- C86 H91 N7 O10 -","- C344 H364 N28 O40 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0891","0.0746","","","0.1919","0.2052","","","","","","1.025","","","","has coordinates,has disorder","243095","2020-10-21","18:00:00",""
"4133264","11.8886","0.0006","12.0858","0.0006","12.2579","0.0006","91.892","0.002","90.473","0.002","103.736","0.002","1709.72","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H74 N2 O12 -","- C70 H74 N2 O12 -","- C70 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0573","0.0489","","","0.1262","0.1318","","","","","","1.059","","","","has coordinates,has disorder","243096","2020-10-21","18:00:00",""
"4133265","13.286","0.003","20.911","0.004","12.852","0.003","90","","75.33","0.03","90","","3454.2","1.4","148","2","148.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H71 N3 O11 -","- C69 H69 N3 O11 -","- C138 H138 N6 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0832","0.0779","","","0.2269","0.2327","","","","","","1.089","","","","has coordinates,has disorder","243097","2020-10-21","18:00:00",""
"4133266","11.856","0.0005","11.8594","0.0005","12.5172","0.0005","89.974","0.002","86.799","0.002","73.599","0.002","1685.52","0.12","150","","150.01","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N4 O10 -","- C70 H70 N4 O10 -","- C70 H70 N4 O10 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0492","0.044","","","0.1125","0.1167","","","","","","1.036","","","","has coordinates,has disorder","243098","2020-10-21","18:00:00",""
"4133267","11.9332","0.0006","12.1357","0.0006","12.1476","0.0006","92.363","0.003","103.597","0.003","90.206","0.003","1708.27","0.15","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H77 N3 O10 -","- C70 H77 N3 O10 -","- C70 H77 N3 O10 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0859","0.065","","","0.1636","0.1767","","","","","","1.046","","","","has coordinates,has disorder","243099","2020-10-21","18:00:00",""
"4133268","11.6154","0.0005","12.7648","0.0005","13.8417","0.0006","112.66","0.003","111.734","0.003","96.511","0.002","1678.92","0.14","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H72 N2 O13 -","- C69 H72 N2 O13 -","- C69 H72 N2 O13 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1383","0.1113","","","0.3102","0.3342","","","","","","1.076","","","","has coordinates,has disorder","243100","2020-10-21","18:00:00",""
"4133269","17.764","0.0006","15.6487","0.0006","24.7929","0.0009","90","","92.274","0.002","90","","6886.6","0.4","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 N4 O10 S2 -","- C72 H72 N4 O10 S2 -","- C288 H288 N16 O40 S8 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1025","0.0827","","","0.2361","0.2562","","","","","","1.022","","","","has coordinates,has disorder","243101","2020-10-21","18:00:00",""
"4133270","27.11","0.003","21.353","0.003","60.606","0.007","90","","91.001","0.006","90","","35078","7","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C273 H281 Ag43 Cl2 P4 S25 -","- C273 H281 Ag43 Cl2 P4 S25 -","- C1092 H1124 Ag172 Cl8 P16 S100 -","4","1","","Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou","A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.","Journal of the American Chemical Society","2018","140","46","15582","15585","10.1021/jacs.8b09162","","","0.71073","MoKα","","0.1151","0.0781","","","0.2364","0.2537","","","","","","1.084","","","","has coordinates","243102","2020-10-21","18:00:00",""
"4133271","22.9163","0.0008","23.0825","0.0008","23.4244","0.0008","112.218","0.002","97.802","0.002","116.569","0.002","9538.5","0.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C352 H354 Ag45.98 Cl4 O6 P8 S26 -","- C352 H354 Ag45.978 Cl4 O6 P8 S26 -","- C352 H354 Ag45.978 Cl4 O6 P8 S26 -","1","0.5","","Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou","A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.","Journal of the American Chemical Society","2018","140","46","15582","15585","10.1021/jacs.8b09162","","","0.71073","MoKα","","0.1564","0.082","","","0.2062","0.2665","","","","","","1.015","","","","has coordinates","243103","2020-10-21","18:00:00",""
"4133272","7.4991","0.0003","16.1174","0.0006","9.0582","0.0004","90","","96.884","0.004","90","","1086.94","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H23 B F4 N2 O -","- C25 H23 B F4 N2 O -","- C50 H46 B2 F8 N4 O2 -","2","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0369","0.0337","","","0.0858","0.0885","","","","","","1.044","","","","has coordinates","243104","2020-10-21","18:00:00",""
"4133273","8.9313","0.0003","12.0973","0.0005","12.7783","0.0005","90","","90","","90","","1380.63","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0308","0.0281","","","0.0765","0.0793","","","","","","1.003","","","","has coordinates","243105","2020-10-21","18:00:00",""
"4133274","10.5827","0.0007","13.954","0.001","17.8701","0.001","104.664","0.005","105.533","0.005","104.296","0.006","2315.2","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Co N4 O5 -","- C52 H64 Co N4 O5 -","- C104 H128 Co2 N8 O10 -","2","1","","Paquette, Michelle M.; Plaul, Daniel; Kurimoto, Aiko; Patrick, Brian O.; Frank, Natia L.","Opto-Spintronics: Photoisomerization-Induced Spin State Switching at 300 K in Photochrome Cobalt-Dioxolene Thin Films.","Journal of the American Chemical Society","2018","140","44","14990","15000","10.1021/jacs.8b09190","","","1.54178","CuKα","","0.1732","0.0764","","","0.1424","0.1716","","","","","","1.03","","","","has coordinates","243106","2020-10-21","18:00:00",""
"4133275","10.6434","0.0014","11.5563","0.0014","15.779","0.002","101.439","0.003","98.369","0.004","104.009","0.003","1807","0.4","149","2","149","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 Au N3 -","- C43 H50 Au N3 -","- C86 H100 Au2 N6 -","2","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0298","0.0215","","","0.0426","0.0444","","","","","","1.067","","","","has coordinates","243107","2020-10-21","18:00:00",""
"4133276","17.1108","0.0008","10.1518","0.0005","23.0061","0.0011","90","","94.888","0.002","90","","3981.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Au F3 N3 O -","- C44 H51 Au F3 N3 O -","- C176 H204 Au4 F12 N12 O4 -","4","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0736","0.0495","","","0.1075","0.1182","","","","","","1.055","","","","has coordinates,has disorder","243108","2020-10-21","18:00:00",""
"4133277","7.3969","0.0004","22.2469","0.0011","20.6523","0.001","90","","98.442","0.001","90","","3361.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Au F2 N3 -","- C39 H40 Au F2 N3 -","- C156 H160 Au4 F8 N12 -","4","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0317","0.0277","","","0.0684","0.0707","","","","","","1.036","","","","has coordinates","243109","2020-10-21","18:00:00",""
"4133278","5.3608","0.0003","7.6509","0.0004","8.9401","0.0006","93.728","0.006","94.854","0.005","105.912","0.004","349.87","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(Methanesulfonyl)peroxide","(((Methylsulfonyl)peroxy)sulfonyl)methane","","- C2 H6 O6 S2 -","- C2 H6 O6 S2 -","- C4 H12 O12 S4 -","2","1","","Börgel, Jonas; Tanwar, Lalita; Berger, Florian; Ritter, Tobias","Late-Stage Aromatic C-H Oxygenation.","Journal of the American Chemical Society","2018","140","47","16026","16031","10.1021/jacs.8b09208","","","0.71073","MoKα","","0.0366","0.0304","","","0.0788","0.0831","","","","","","1.044","","","","has coordinates","243110","2020-10-21","18:00:00",""
"4133279","10.1535","0.0002","18.4694","0.0005","21.3666","0.0005","90","","93.9442","0.0011","90","","3997.37","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F15 Ge Hf Si2 -","- C40 H34 B F15 Ge Hf Si2 -","- C160 H136 B4 F60 Ge4 Hf4 Si8 -","4","1","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.0419","0.0265","","","0.0544","0.0593","","","","","","1.005","","","","has coordinates","243111","2020-10-21","18:00:00",""
"4133280","25.1613","0.0006","12.6112","0.0003","36.1806","0.0009","90","","91.2732","0.0013","90","","11477.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 B F20 Ge Hf Si2 -","- C60 H50 B F20 Ge Hf Si2 -","- C480 H400 B8 F160 Ge8 Hf8 Si16 -","8","2","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.0869","0.0458","","","0.0813","0.0919","","","","","","1.031","","","","has coordinates,has disorder","243112","2020-10-21","18:00:00",""
"4133281","9.2339","0.0004","19.4522","0.0009","16.5267","0.0008","90","","98.7615","0.0014","90","","2933.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Si -","- C34 H48 Si -","- C136 H192 Si4 -","4","1","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.065","0.0507","","","0.1355","0.1447","","","","","","1.078","","","","has coordinates,has disorder","243113","2020-10-21","18:00:00",""
"4133282","8.3958","0.0004","9.7344","0.0005","18.4678","0.0009","90","","90","","90","","1509.34","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","0.71073","MoKα","","0.0464","0.0399","","","0.0936","0.1009","","","","","","1.026","","","","has coordinates","243114","2020-10-21","18:00:00",""
"4133283","14.1079","0.0008","20.7305","0.0013","32.5579","0.0019","90","","90","","90","","9522","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C344 H396 B8 Cl48 Cu8 F32 N16 O36 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","1.54184","CuKα","","0.0991","0.0766","","","0.201","0.2353","","","","","","1.038","","","","has coordinates,has disorder","243115","2020-10-21","18:00:00",""
"4133284","25.154","0.002","11.917","0.0009","15.3471","0.0011","90","","98.553","0.007","90","","4549.3","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H55 B Ge K O7 P -","- C49 H55 B Ge K O7 P -","- C196 H220 B4 Ge4 K4 O28 P4 -","4","0.5","","Szkop, Kevin M.; Jupp, Andrew R.; Stephan, Douglas W.","P, P-Dimethylformylphosphine: The Phosphorus Analogue of N, N-Dimethylformamide.","Journal of the American Chemical Society","2018","140","40","12751","12755","10.1021/jacs.8b09266","","","0.71073","MoKα","","0.1347","0.0767","","","0.1954","0.2087","","","","","","1.103","","","","has coordinates,has disorder","243116","2020-10-21","18:00:00",""
"4133285","6.4177","0.0003","28.9354","0.0015","25.7657","0.0014","90","","92.35","0.002","90","","4780.6","0.4","423","2","423","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20.67 Cl2 O P Ru -","- C13 H20.6667 Cl2 O P Ru -","- C156 H248 Cl24 O12 P12 Ru12 -","12","3","","Szkop, Kevin M.; Jupp, Andrew R.; Stephan, Douglas W.","P, P-Dimethylformylphosphine: The Phosphorus Analogue of N, N-Dimethylformamide.","Journal of the American Chemical Society","2018","140","40","12751","12755","10.1021/jacs.8b09266","","","0.71073","MoKα","","0.0428","0.0375","","","0.0778","0.0796","","","","","","1.172","","","","has coordinates,has disorder","243117","2020-10-21","18:00:00",""
"4133286","11.0864","0.0007","12.6716","0.0008","23.6012","0.0015","86.285","0.003","76.55","0.003","68.456","0.003","2998.6","0.3","100","2","100.01","","","","","","","","","10","P -1","-P 1","2","","","","- C68 H69 B Cl Fe N2 O P Pt S2 -","- C68 H69 B Cl Fe N2 O P Pt S2 -","- C136 H138 B2 Cl2 Fe2 N4 O2 P2 Pt2 S4 -","2","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0591","0.0525","","","0.1172","0.1203","","","","","","1.097","","","","has coordinates","243118","2020-10-21","18:00:00",""
"4133287","17.862","0.004","9.0804","0.0018","15.254","0.003","90","","99.06","0.03","90","","2443.2","0.9","100","2","99.94","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl4 Fe N2 Pt S -","- C22 H24 Cl4 Fe N2 Pt S -","- C88 H96 Cl16 Fe4 N8 Pt4 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0384","0.0281","","","0.0539","0.0569","","","","","","0.986","","","","has coordinates,has disorder","243119","2020-10-21","18:00:00",""
"4133288","11.8881","0.0004","9.8041","0.0004","18.9098","0.0008","90","","94.289","0.002","90","","2197.81","0.15","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 B2 F8 Fe N2 S -","- C20 H21 B2 F8 Fe N2 S -","- C80 H84 B8 F32 Fe4 N8 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0942","0.0713","","","0.16","0.1698","","","","","","1.159","","","","has coordinates,has disorder","243120","2020-10-21","18:00:00",""
"4133289","17.6572","0.0008","11.1718","0.0004","9.4143","0.0006","90","","98.445","0.004","90","","1836.95","0.16","100","2","100.09","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl Fe N2 O0.5 S -","- C20 H22 Cl Fe N2 O0.5 S -","- C80 H88 Cl4 Fe4 N8 O2 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0782","0.0499","","","0.0812","0.089","","","","","","1.051","","","","has coordinates","243121","2020-10-21","18:00:00",""
"4133290","9.755","0.002","10.735","0.003","20.825","0.005","88.803","0.006","79.374","0.007","79.79","0.006","2109.3","0.9","100","2","100.02","","","","","","","","","10","P -1","-P 1","2","","","","- C41 H41 B2 Cl2 F8 Fe N2 P Pt S2 -","- C41 H41 B2 Cl2 F8 Fe N2 P Pt S2 -","- C82 H82 B4 Cl4 F16 Fe2 N4 P2 Pt2 S4 -","2","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0364","0.0305","","","0.079","0.0808","","","","","","1.063","","","","has coordinates","243122","2020-10-21","18:00:00",""
"4133291","9.981","0.0005","10.8463","0.0005","9.8571","0.0005","103.871","0.003","103.223","0.003","95.421","0.004","995.85","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Mn2 N12 W -","- C14 H8 Mn2 N12 W -","- C28 H16 Mn4 N24 W2 -","2","1","","Magott, Michał; Reczyński, Mateusz; Gaweł, Bartłomiej; Sieklucka, Barbara; Pinkowicz, Dawid","A Photomagnetic Sponge: High-Temperature Light-Induced Ferrimagnet Controlled by Water Sorption.","Journal of the American Chemical Society","2018","140","46","15876","15882","10.1021/jacs.8b09322","powder diffraction","x-ray","1.5418","CoKα","","0.0299","0.0296","","0.0363","0.0363","","","","1.83","","","","","","","has coordinates","243123","2020-10-21","18:00:00",""
"4133292","12.8769","0.0001","20.105","0.0002","25.9848","0.0003","86.853","0.001","84.592","0.001","89.208","0.001","6686.91","0.12","150.01","0.11","150.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C66 H72 B F24 P2 Rh -","- C66 H72 B F24 P2 Rh -","- C264 H288 B4 F96 P8 Rh4 -","4","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0494","0.0421","","","0.1046","0.1102","","","","","","1.038","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133293","19.5269","0.0002","34.2076","0.0004","20.0095","0.0002","90","","94.0077","0.0009","90","","13333","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 B F24 P2 Rh -","- C66 H70 B F24 P2 Rh -","- C528 H560 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0519","0.0393","","","0.0991","0.107","","","","","","1.028","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133294","19.0717","0.0001","17.8106","0.0001","19.8381","0.0001","90","","92.228","0.001","90","","6733.48","0.06","149.9","0.4","149.9","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 B F24 P2 Rh -","- C66 H74 B F24 P2 Rh -","- C264 H296 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0357","0.0328","","","0.0859","0.0884","","","","","","1.056","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133295","19.4403","0.0002","17.1515","0.0002","20.2397","0.0002","90","","92.845","0.001","90","","6740.21","0.12","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H74 B F24 P2 Rh -","- C67 H74 B F23.994 P2 Rh -","- C268 H296 B4 F95.976 P8 Rh4 -","4","0.5","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0405","0.0392","","","0.1004","0.1015","","","","","","1.045","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133296","18.9278","0.001","18.8687","0.0006","19.0357","0.0005","90","","92.417","0.003","90","","6792.4","0.5","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 B F24 P2 Rh -","- C67 H78 B F24 P2 Rh -","- C268 H312 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.0971","0.0727","","","0.2135","0.2393","","","","","","1.096","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133297","19.47695","0.00014","17.24051","0.00012","20.25038","0.00014","90","","94.11","0.0007","90","","6782.44","0.08","149.9","0.3","149.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 B F24 P2 Rh -","- C67 H72 B F24 P2 Rh -","- C268 H288 B4 F96 P8 Rh4 -","4","0.5","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0538","0.0513","","","0.1354","0.1382","","","","","","1.058","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133298","19.0032","0.00012","18.02691","0.00011","20.0666","0.00011","90","","92.2234","0.0006","90","","6869.02","0.07","150","0.4","150","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H76 B F24 P2 Rh -","- C67 H76 B F24 P2 Rh -","- C268 H304 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0425","0.0388","","","0.1024","0.1067","","","","","","1.032","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133299","19.707","0.0004","34.3875","0.0008","20.3368","0.0004","90","","94.0465","0.0018","90","","13747.4","0.5","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H76 B F24 P2 Rh -","- C68 H76 B F24 P2 Rh -","- C544 H608 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.117","0.0834","","","0.2148","0.2329","","","","","","0.938","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133300","20.2541","0.0005","17.6079","0.0003","79.0504","0.0015","90","","96.729","0.002","90","","27997.7","1","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H74 B F24 P2 Rh -","- C68 H74 B F24 P2 Rh -","- C1088 H1184 B16 F384 P32 Rh16 -","16","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0613","0.0533","","","0.1447","0.1538","","","","","","1.034","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133301","20.6397","0.0007","17.8","0.0005","77.042","0.002","90","","94.612","0.003","90","","28212.6","1.4","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C136 H154 B2 F48 P4 Rh2 -","- C136 H154 B2 F48 P4 Rh2 -","- C1088 H1232 B16 F384 P32 Rh16 -","8","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.2238","0.158","","","0.3934","0.4456","","","","","","1.459","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133302","13.7187","0.0001","16.7165","0.0001","29.163","0.0002","90","","93.382","0.001","90","","6676.26","0.08","150","0.4","150","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 B Cl2 F24 P2 Rh -","- C62 H68 B Cl2 F24 P2 Rh -","- C248 H272 B4 Cl8 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.04","0.0372","","","0.0991","0.102","","","","","","1.029","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133303","14.3089","0.0001","17.4465","0.0002","27.6835","0.0002","90","","94.654","0.001","90","","6888.13","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 B F24 P2 Rh -","- C69 H78 B F23.994 P2 Rh -","- C276 H312 B4 F95.976 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0407","0.0368","","","0.0984","0.1018","","","","","","1.016","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133304","14.4218","0.0003","17.6642","0.0006","27.4924","0.0005","90","","94.5641","0.0018","90","","6981.5","0.3","149.99","0.16","149.99","0.16","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78.98 B F24 P2 Rh -","- C69 H78.9771 B F24 P2 Rh -","- C276 H315.908 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.1197","0.0961","","","0.2751","0.2992","","","","","","1.057","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133305","25.7941","0.0007","7.4589","0.0002","20.1543","0.0006","90","","90.743","0.003","90","","3877.27","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 B F4 N -","- C24 H20 B F4 N -","- C192 H160 B8 F32 N8 -","8","1","","Karim, Alavi; Schulz, Nils; Andersson, Hanna; Nekoueishahraki, Bijan; Carlsson, Anna-Carin C; Sarabi, Daniel; Valkonen, Arto; Rissanen, Kari; Gräfenstein, Jürgen; Keller, Sandro; Erdélyi, Máté","Carbon's Three-Center, Four-Electron Tetrel Bond, Treated Experimentally.","Journal of the American Chemical Society","2018","140","50","17571","17579","10.1021/jacs.8b09367","","","1.54184","CuKα","","0.1164","0.1142","","","0.3662","0.3671","","","","","","1.14","","","","has coordinates","243126","2020-10-21","18:00:00",""
"4133306","15.571","0.003","9.728","0.002","16.373","0.004","90","","100.123","0.008","90","","2441.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F3 N4 O4 -","- C27 H24 F3 N4 O4 -","- C108 H96 F12 N16 O16 -","4","1","","Basnet, Prakash; Kc, Shekhar; Dhungana, Roshan K.; Shrestha, Bijay; Boyle, Timothy J.; Giri, Ramesh","Synergistic Bimetallic Ni/Ag and Ni/Cu Catalysis for Regioselective γ,δ-Diarylation of Alkenyl Ketimines: Addressing β-H Elimination by in Situ Generation of Cationic Ni(II) Catalysts.","Journal of the American Chemical Society","2018","140","46","15586","15590","10.1021/jacs.8b09401","","","0.71073","MoKα","","0.1836","0.0697","","","0.163","0.2188","","","","","","0.941","","","","has coordinates","243127","2020-10-21","18:00:00",""
"4133307","11.5281","0.0003","9.2306","0.0002","30.703","0.0007","90","","96.237","0.001","90","","3247.81","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H40 Br N3 O3 -","- C33 H40 Br N3 O3 -","- C132 H160 Br4 N12 O12 -","4","2","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0614","0.0337","","","0.0654","0.0757","","","","","","1.01","","","","has coordinates","243128","2020-10-21","18:00:00",""
"4133308","11.1116","0.0014","10.1824","0.0013","12.4713","0.0016","90","","101.661","0.003","90","","1381.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl N3 O3 -","- C31 H30 Cl N3 O3 -","- C62 H60 Cl2 N6 O6 -","2","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0441","0.0394","","","0.0956","0.0992","","","","","","1.043","","","","has coordinates","243129","2020-10-21","18:00:00",""
"4133309","5.5125","0.0001","13.5718","0.0003","14.9","0.0003","90","","90","","90","","1114.74","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","1.54178","CuKα","","0.0341","0.0334","","","0.0887","0.0898","","","","","","1.102","","","","has coordinates","243130","2020-10-21","18:00:00",""
"4133310","5.3565","0.0005","22.187","0.002","23.89","0.002","90","","90","","90","","2839.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 F N3 O4 -","- C32 H32 F N3 O4 -","- C128 H128 F4 N12 O16 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0635","0.0436","","","0.0917","0.0996","","","","","","1.006","","","","has coordinates","243131","2020-10-21","18:00:00",""
"4133311","7.1275","0.0002","13.5886","0.0004","8.1305","0.0002","90","","97.048","0.001","90","","781.51","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","0.71073","MoKα","","0.0442","0.0353","","","0.0925","0.0987","","","","","","1.057","","","","has coordinates","243132","2020-10-21","18:00:00",""
"4133312","25.8059","0.0005","11.555","0.0002","8.0141","0.0002","90","","93.927","0.001","90","","2384.09","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 N12 O7 -","- C3 H10 N12 O7 -","- C24 H80 N96 O56 -","8","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","1.54178","CuKα","","0.043","0.0397","","","0.0941","0.097","","","","","","1.066","","","","has coordinates,has disorder","243133","2020-10-21","18:00:00",""
"4133313","10.3002","0.0005","5.9834","0.0003","11.2693","0.0006","90","","90.942","0.002","90","","694.44","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 N8 O2 -","- C3 H2 N8 O2 -","- C12 H8 N32 O8 -","4","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","0.71073","MoKα","","0.0489","0.0388","","","0.106","0.1138","","","","","","1.02","","","","has coordinates","243134","2020-10-21","18:00:00",""
"4133314","8.289","0.0004","12.021","0.0005","12.4452","0.0006","64.042","0.002","84.743","0.003","81.763","0.003","1102.88","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 N12 O5 -","- C3 H10 N12 O5 -","- C12 H40 N48 O20 -","4","2","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","1.54178","CuKα","","0.0923","0.067","","","0.149","0.163","","","","","","1.064","","","","has coordinates","243135","2020-10-21","18:00:00",""
"4133315","16.0554","0.001","6.2996","0.0004","14.4609","0.0009","90","","106.151","0.004","90","","1404.89","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Li, Man-Bo; Inge, A. Ken; Posevins, Daniels; Gustafson, Karl P. J.; Qiu, Youai; Bäckvall, Jan-E","Chemodivergent and Diastereoselective Synthesis of γ-Lactones and γ-Lactams: A Heterogeneous Palladium-Catalyzed Oxidative Tandem Process.","Journal of the American Chemical Society","2018","140","44","14604","14608","10.1021/jacs.8b09562","","","1.54178","CuKα","","0.2342","0.0825","","","0.1466","0.1964","","","","","","0.965","","","","has coordinates","243136","2020-10-21","18:00:00",""
"4133316","21.728","","21.728","","21.728","","90","","90","","90","","10257.9","","120","","120","","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C216 H244 Cl4 Co4 F72 N76 O16 P12 -","- C120 H100 Cl4 Co4 F72 N28 O16 P12 -","- C240 H200 Cl8 Co8 F144 N56 O32 P24 -","2","0.0833333","","Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J.","Visualizing Kinetically Robust Co<sup>III</sup><sub>4</sub>L<sub>6</sub> Assemblies in Vivo: SPECT Imaging of the Encapsulated [<sup>99m</sup>Tc]TcO<sub>4</sub><sup>-</sup> Anion.","Journal of the American Chemical Society","2018","140","49","16877","16881","10.1021/jacs.8b09582","","x-ray","1.54178","CuKα","","0.1452","0.1451","","","0.3653","0.3656","","","","","","1.976","","","","has coordinates,has disorder","243137","2020-10-21","18:00:00",""
"4133317","32.5979","0.0005","32.5979","0.0005","32.5979","0.0005","90","","90","","90","","34639.3","0.9","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-68-Me","","","- C2.62 H1.38 O0.67 Zr0.12 -","- C2.625 H1.375 O0.666667 Zr0.125 -","- C504 H264 O128 Zr24 -","192","1","","Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong","Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16229","16236","10.1021/jacs.8b09606","","","0.71073","MoKα","","0.0853","0.0735","","","0.2011","0.2195","","","","","","1.092","","","","has coordinates,has disorder","243138","2020-10-21","18:00:00",""
"4133318","32.0319","0.0007","32.0319","0.0007","32.0319","0.0007","90","","90","","90","","32866.1","1.2","100","2","100","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","UiO-68-Cu","","","- C90 H78 Cu3 N6 O22 Zr3 -","- C90 H78 Cu3 N6 O22 Zr3 -","- C720 H624 Cu24 N48 O176 Zr24 -","8","0.0833333","","Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong","Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16229","16236","10.1021/jacs.8b09606","","","0.82654","synchrotron","","0.0819","0.0737","","","0.209","0.2172","","","","","","1.087","","","","has coordinates,has disorder","243139","2020-10-21","18:00:00",""
"4133319","6.261","0.0007","7.4076","0.0008","24.242","0.002","90","","90","","90","","1124.3","0.2","175","","175","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","1.54178","CuKα","","0.0261","0.0261","","","0.0678","0.0679","","","","","","1.092","","","","has coordinates","243140","2020-10-21","18:00:00",""
"4133320","6.3854","0.0018","6.702","0.002","25.222","0.005","90","","90","","90","","1079.4","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0262","0.021","","","0.0533","0.0542","","","","","","1.025","","","","has coordinates","243141","2020-10-21","18:00:00",""
"4133321","5.7304","0.0006","8.3275","0.0007","10.4712","0.0008","90","","92.034","0.003","90","","499.37","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O2 S -","- C10 H9 Br O2 S -","- C20 H18 Br2 O4 S2 -","2","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0175","0.0163","","","0.0408","0.0412","","","","","","0.859","","","","has coordinates","243142","2020-10-21","18:00:00",""
"4133322","17.0065","0.0004","17.0065","0.0004","21.4575","0.0006","90","","90","","90","","6206","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C51.5 H70 F24 Mo2 O11 -","- C51.5 H70 F24 Mo2 O11 -","- C206 H280 F96 Mo8 O44 -","4","0.5","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0446","0.0396","","","0.0847","0.0869","","","","","","1.173","","","","has coordinates,has disorder","243143","2020-10-21","18:00:00",""
"4133323","11.0925","0.0007","15.0304","0.001","34.812","0.003","90","","90.062","0.002","90","","5804","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 Mo O5 Si2 -","- C62 H76 Mo O5 Si2 -","- C248 H304 Mo4 O20 Si8 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0506","0.0458","","","0.1139","0.1162","","","","","","1.21","","","","has coordinates,has disorder","243144","2020-10-21","18:00:00",""
"4133324","31.9462","0.0016","11.8211","0.0006","27.6304","0.0014","90","","104.247","0.001","90","","10113.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H58 Mo O4 -","- C56 H58 Mo O4 -","- C448 H464 Mo8 O32 -","8","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0415","0.035","","","0.0821","0.0853","","","","","","1.123","","","","has coordinates,has disorder","243145","2020-10-21","18:00:00",""
"4133325","21.5299","0.0019","23.117","0.002","11.3996","0.001","90","","90","","90","","5673.7","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H40 F36 Mo2 O11 -","- C44 H40 F36 Mo2 O11 -","- C176 H160 F144 Mo8 O44 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0533","0.0478","","","0.1105","0.1134","","","","","","1.13","","","","has coordinates,has disorder","243146","2020-10-21","18:00:00",""
"4133326","25.8755","0.0002","23.2023","0.0002","17.0251","0.0001","90","","92.263","0.001","90","","10213.4","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl0.5 Cs F0.5 N4 O7 -","- C51.2 H54 Cl0.4 Cs F0.5 N4 O7.1 -","- C409.6 H432 Cl3.2 Cs8 F4 N32 O56.8 -","8","2","","Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.","Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.","Journal of the American Chemical Society","2018","140","41","13219","13222","10.1021/jacs.8b09620","","","0.8","synchrotron","","0.0821","0.0774","","","0.2378","0.2411","","","","","","1.324","","","","has coordinates,has disorder","243147","2020-10-21","18:00:00",""
"4133327","14.248","0.002","18.85","0.003","18.471","0.002","90","","111.445","0.009","90","","4617.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N4 O7 -","- C54 H60 N4 O7 -","- C216 H240 N16 O28 -","4","1","","Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.","Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.","Journal of the American Chemical Society","2018","140","41","13219","13222","10.1021/jacs.8b09620","","","0.71073","MoKα","","0.1846","0.0884","","","0.1672","0.2039","","","","","","1.019","","","","has coordinates,has disorder","243148","2020-10-21","18:00:00",""
"4133328","19.007","0.005","10.872","0.004","27.409","0.008","90","","102.88","0.02","90","","5521","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H32.08 N O4.54 S2 -","- C31.5 H32.0751 N O4.53755 S2 -","- C252 H256.601 N8 O36.3004 S16 -","8","2","","Hu, Xiaoran; McFadden, Molly E.; Barber, Ross W.; Robb, Maxwell J.","Mechanochemical Regulation of a Photochemical Reaction.","Journal of the American Chemical Society","2018","140","43","14073","14077","10.1021/jacs.8b09628","","","0.71073","MoKα","","0.0527","0.0378","","","0.0958","0.1054","","","","","","1.051","","","","has coordinates,has disorder","243149","2020-10-21","18:00:00",""
"4133329","16.2363","0.0006","22.6153","0.001","29.9087","0.0012","90","","94.639","0.002","90","","10946.2","0.8","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdIF-13 DMF-solvate","","","- C414 H422 Cd24 N122 O26 -","- C402 H394 Cd24 N118 O22 -","- C402 H394 Cd24 N118 O22 -","1","0.25","","McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R.","Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","46","15924","15933","10.1021/jacs.8b09631","","","0.7288","synchrotron","","0.0782","0.0596","","","0.1412","0.1508","","","","","","1.115","","","","has coordinates,has disorder","243150","2020-10-21","18:00:00",""
"4133330","14.7241","0.0007","21.4248","0.001","17.2433","0.0007","90","","113.366","0.002","90","","4993.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdIF-13 CH2Cl2-solvate","","","- C178 H140 Cd12 Cl20 N48 -","- C176 H136 Cd12 Cl16 N48 -","- C176 H136 Cd12 Cl16 N48 -","1","0.25","","McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R.","Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","46","15924","15933","10.1021/jacs.8b09631","","","0.8856","synchrotron","","0.08","0.0592","","","0.1495","0.1635","","","","","","1.067","","","","has coordinates","243151","2020-10-21","18:00:00",""
"4133331","5.9715","0.0004","34.571","0.002","9.5588","0.0007","90","","100.25","0.007","90","","1941.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.7107","MoKα","","0.0946","0.0478","","","0.1028","0.1133","","","","","","0.863","","","","has coordinates","243152","2020-10-21","18:00:00",""
"4133332","8.9219","0.001","5.6293","0.0007","17.187","0.002","90","","103.268","0.004","90","","840.16","0.17","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.054","0.0431","","","0.1028","0.1086","","","","","","1.049","","","","has coordinates","243153","2020-10-21","18:00:00",""
"4133333","15.1384","0.0007","16.8907","0.0008","7.8396","0.0004","90","","115.744","0.0012","90","","1805.6","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","0.5","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.0502","0.0395","","","0.1068","0.1136","","","","","","1.059","","","","has coordinates","243154","2020-10-21","18:00:00",""
"4133334","7.75079","0.00004","17.50986","0.00009","18.79506","0.00009","90","","90","","90","","2550.78","0.02","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O3 Si -","- C26 H43 N O3 Si -","- C104 H172 N4 O12 Si4 -","4","1","","Richter, Matthieu J. R.; Schneider, Michael; Brandstätter, Marco; Krautwald, Simon; Carreira, Erick M.","Total Synthesis of (-)-Mitrephorone A.","Journal of the American Chemical Society","2018","140","48","16704","16710","10.1021/jacs.8b09685","","x-ray","1.54184","CuKα","","0.0274","0.0271","","","0.0707","0.071","","","","","","1.042","","","","has coordinates","243155","2020-10-21","18:00:00",""
"4133349","22.8468","0.0011","5.9484","0.0003","18.8992","0.0009","90","","106.705","0.001","90","","2460","0.2","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Huynh, Mioy T.; Goings, Joshua J.; Liddell, Paul A.; Groy, Thomas L.; Gervaldo, Miguel; Sereno, Leónides E; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays.","Journal of the American Chemical Society","2018","140","45","15450","15460","10.1021/jacs.8b09724","","","0.71073","MoKα","","0.0579","0.0492","","","0.1225","0.1276","","","","","","1.1","","","","has coordinates","243170","2020-10-21","18:00:00",""
"4133350","9.3556","0.0006","23.2292","0.0017","16.8874","0.0013","90","","105.518","0.008","90","","3536.2","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 I Th -","- C35 H61 I Th -","- C140 H244 I4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0545","0.0441","","","0.0976","0.1031","","","","","","1.051","","","","has coordinates,has disorder","243171","2020-10-21","18:00:00",""
"4133351","10.6013","0.0002","31.8019","0.0006","15.7364","0.0003","90","","94.685","0.002","90","","5287.67","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H93 P Th -","- C58 H93 P Th -","- C232 H372 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0527","0.0458","","","0.1089","0.1127","","","","","","1.109","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133352","14.5566","0.0002","25.565","0.0005","15.0749","0.0002","90","","92.616","0.001","90","","5604.12","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H92 P S2 Th -","- C59 H92 P S2 Th -","- C236 H368 P4 S8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.057","0.0489","","","0.1127","0.1175","","","","","","1.087","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133353","11.7105","0.0004","14.3546","0.0006","27.5103","0.0009","90","","93.334","0.003","90","","4616.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 N S2 Th -","- C41 H63 N S2 Th -","- C164 H252 N4 S8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0731","0.0589","","","0.152","0.1639","","","","","","1.099","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133354","21.8176","0.0002","10.7827","0.0001","27.5783","0.0003","90","","90","","90","","6487.87","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C272 H464 S8 Th8 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.03","0.0261","","","0.0489","0.0509","","","","","","1.024","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133355","10.323","0.0007","28.5977","0.0014","18.6295","0.0011","90","","100.592","0.006","90","","5406","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H92 N P Th -","- C59 H92 N P Th -","- C236 H368 N4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.088","0.0697","","","0.1737","0.1866","","","","","","1.082","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133356","10.3818","0.0003","28.7489","0.0012","18.6498","0.0006","90","","96.834","0.003","90","","5526.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H98 N P Th -","- C59 H98 N P Th -","- C236 H392 N4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","0.71073","MoKα","","0.0977","0.0763","","","0.1387","0.1471","","","","","","1.273","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133357","10.5187","0.0004","11.0949","0.0004","25.1635","0.0009","78.722","0.003","85.304","0.003","76.16","0.003","2794.46","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H99 N P Th -","- C60 H99 N P Th -","- C120 H198 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0447","0.0388","","","0.0869","0.0905","","","","","","1.026","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133358","15.8047","0.0004","18.1652","0.0004","24.3339","0.0006","89.366","0.002","84.928","0.002","64.381","0.002","6271.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C132 H194 N4 P2 Th2 -","- C132 H194 N4 P2 Th2 -","- C264 H388 N8 P4 Th4 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0962","0.0876","","","0.211","0.2143","","","","","","1.174","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133359","11.1972","0.0002","20.3586","0.0004","28.01","0.0005","90","","100.882","0.002","90","","6270.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H200 N4 P2 Th2 -","- C138 H200 N4 P2 Th2 -","- C276 H400 N8 P4 Th4 -","2","0.5","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0372","0.0292","","","0.0655","0.0696","","","","","","1.017","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133360","12.4141","0.0003","14.2991","0.0004","18.8879","0.0004","99.847","0.002","97.762","0.002","96.856","0.002","3238.1","0.14","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H97 N2 P Th -","- C66 H97 N2 P Th -","- C132 H194 N4 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0719","0.0596","","","0.152","0.1604","","","","","","1.081","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133361","12.8472","0.0008","13.0939","0.0007","21.1147","0.0012","85.562","0.004","74.609","0.005","63.017","0.006","3047.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H105 N P Si Th -","- C65 H105 N P Si Th -","- C130 H210 N2 P2 Si2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0437","0.0399","","","0.0923","0.0942","","","","","","1.124","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133362","10.769","0.0004","15.6072","0.0004","19.4589","0.0005","77.538","0.002","83.282","0.002","75.504","0.003","3084.95","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H107 N P Th -","- C68 H107 N P Th -","- C136 H214 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0667","0.0591","","","0.151","0.1566","","","","","","1.061","","","","has coordinates,has disorder","243171","2020-10-21","18:00:00",""
"4133363","13.3682","0.0004","14.9534","0.0005","16.5128","0.0005","105.788","0.003","90.91","0.002","94.865","0.002","3162.33","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C61 H96 N P Th -","- C61 H96 N P Th -","- C122 H192 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.027","0.0252","","","0.0546","0.0559","","","","","","1.019","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133364","14.5978","0.0008","18.9744","0.001","19.2277","0.001","101.751","0.004","90.019","0.004","99.921","0.005","5132.7","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H87 N4 P Th -","- C52 H87 N4 P Th -","- C208 H348 N16 P4 Th4 -","4","2","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.102","0.0842","","","0.2139","0.2295","","","","","","1.022","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133365","10.625","0.008","12.002","0.01","20.851","0.017","100.631","0.015","90.727","0.014","115.77","0.013","2340","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H74 N2 Th -","- C50 H74 N2 Th -","- C100 H148 N4 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","","0.71073","MoKα","","0.0749","0.047","","","0.1023","0.1183","","","","","","1.06","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133376","27.7428","0.0006","12.2385","0.0002","25.2788","0.0005","90","","102.219","0.002","90","","8388.5","0.3","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H110 Al2 N4 O8 W -","- C90.5 H110 Al2 N4 O8 W -","- C362 H440 Al8 N16 O32 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","0.71073","MoKα","","0.0597","0.0376","","","0.0715","0.0791","","","","","","1.027","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133377","15.3318","0.0003","21.4894","0.0003","21.5498","0.0003","90","","92.4806","0.0014","90","","7093.4","0.2","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H90 Al2 N4 O9 W -","- C74 H90 Al2 N4 O9 W -","- C296 H360 Al8 N16 O36 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.061","0.0422","","","0.1017","0.1149","","","","","","1","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133378","17.8441","0.0009","19.0576","0.0005","22.2871","0.0008","90","","92.815","0.004","90","","7569.9","0.5","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H94 Al2 N4 O10 W -","- C78.994 H93.994 Al2 N4 O10 W -","- C315.976 H375.976 Al8 N16 O40 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.0679","0.0525","","","0.1364","0.1463","","","","","","1.03","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133379","36.7014","0.0009","15.0966","0.0004","28.7796","0.0009","90","","111.273","0.003","90","","14859.3","0.8","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H94 Al2 N4 O10 W -","- C77.5 H94 Al2 N4 O10 W -","- C620 H752 Al16 N32 O80 W8 -","8","2","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.1049","0.071","","","0.1773","0.1965","","","","","","1.047","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133380","24.246","0.006","15.3192","0.0014","24.56","0.006","90","","119.55","0.03","90","","7936","4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MOS-1","","","- Br3 Mo3 S10 -","- Br3 Mo3 S10 -","- Br24 Mo24 S80 -","8","2","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.91165","synchrotron","","0.2033","0.1687","","","0.4416","0.4714","","","","","","1.268","","","","has coordinates,has disorder","243183","2020-10-21","18:00:00",""
"4133381","24.8186","0.0016","21.5751","0.0016","33.513","0.002","90","","106.853","0.002","90","","17174","2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 Mo6 N6 O18 S8 -","- C54 H36 Mo6 N6 O18 S8 -","- C432 H288 Mo48 N48 O144 S64 -","8","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.71073","MoKα","","0.0749","0.0487","","","0.1166","0.1261","","","","","","1.046","","","","has coordinates","243184","2020-10-21","18:00:00",""
"4133382","12.4938","0.0005","42.4264","0.0017","22.2065","0.001","90","","90","","90","","11770.9","0.9","100","","100","","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C60 H126 Br10 Mo6 N6 S18 -","- C60 H126 Br10 Mo6 N6 S18 -","- C240 H504 Br40 Mo24 N24 S72 -","4","0.25","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","1.54178","CuKα","","0.1392","0.1048","","","0.2558","0.2766","","","","","","1.07","","","","has coordinates","243185","2020-10-21","18:00:00",""
"4133383","30.418","0.018","12.37","0.008","21.063","0.013","90","","90","","90","","7925","8","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H5.5 Br6 Mo6 S20 -","- C9 H5 Br6 Mo6 S20 -","- C36 H20 Br24 Mo24 S80 -","4","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1253","0.0517","","","0.0894","0.1099","","","","","","0.823","","","","has coordinates","243186","2020-10-21","18:00:00",""
"4133384","32.877","0.005","32.877","0.005","32.877","0.005","90","","90","","90","","35537","9","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C288 H288 Mo48 N48 O300 S64 Zn12 -","2","0.0208333","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1557","0.1228","","","0.3652","0.431","","","","","","1.928","","","","has coordinates","243187","2020-10-21","18:00:00",""
"4133385","27.657","0.0007","7.6139","0.0003","35.2089","0.0013","90","","100.653","0.003","90","","7286.4","0.4","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","helically twisted kekulene 1","dinaphtho[1'',2'':6,7;1''',2''':6',7']diphenanthro[3,2-a:2',3'-j]anthracene","","- C57.26 H37.26 O0.26 -","- C57.263 H37.263 O0.263 -","- C458.104 H298.104 O2.104 -","8","1","","Nakakuki, Yusuke; Hirose, Takashi; Matsuda, Kenji","Synthesis of a Helical Analogue of Kekulene: A Flexible π-Expanded Helicene with Large Helical Diameter Acting as a Soft Molecular Spring.","Journal of the American Chemical Society","2018","140","45","15461","15469","10.1021/jacs.8b09825","","","0.71073","MoKα","","0.1024","0.0644","","","0.1702","0.1938","","","","","","1.042","","","","has coordinates,has disorder","243188","2020-10-21","18:00:00",""
"4133386","5.5819","0.0002","9.2612","0.0003","12.4359","0.0005","79.19","0.001","86.826","0.001","86.365","0.001","629.58","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.1112","0.0605","","","0.1308","0.1533","","","","","","1.019","","","","has coordinates","243189","2020-10-21","18:00:00",""
"4133387","7.9989","0.0003","8.2629","0.0003","11.7753","0.0004","75.035","0.002","78.866","0.002","84.766","0.002","737.03","0.05","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C36 H34 N6 -","2","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.0949","0.0525","","","0.1188","0.1371","","","","","","1.035","","","","has coordinates","243190","2020-10-21","18:00:00",""
"4133388","23.609","0.0009","10.8697","0.0004","15.2722","0.0006","90","","106.999","0.002","90","","3748","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C152 H168 N24 O24 S8 -","8","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","1.54178","CuKα","","0.1161","0.0863","","","0.2173","0.2456","","","","","","1.045","","","","has coordinates","243191","2020-10-21","18:00:00",""
"4133389","5.451","0.004","39.24","0.03","7.731","0.006","90","","95.806","0.008","90","","1645","2","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","2","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.2465","0.1365","","","0.2978","0.3255","","","","","","1.504","","","","has coordinates","243192","2020-10-21","18:00:00",""
"4133390","16.555","0.0013","11.7095","0.0002","17.7899","0.0014","90","","90","","90","","3448.6","0.4","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Li N2 Ni -","- C16 H29 Li N2 Ni -","- C128 H232 Li8 N16 Ni8 -","8","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates","276364","2022-06-28","17:43:35",""
"4133391","10.5241","0.0013","18.135","0.002","17.197","0.002","90","","107.478","0.002","90","","3130.6","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Li2 Ni O4 -","- C32 H56 Li2 Ni O4 -","- C128 H224 Li8 Ni4 O16 -","4","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","276364","2022-06-28","17:43:35",""
"4133392","9.5716","0.0004","9.5716","0.0004","64.226","0.003","90","","90","","90","","5884.1","0.4","200","1","200","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H31 Ge N O2 -","- C36 H31 Ge N O2 -","- C288 H248 Ge8 N8 O16 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0318","0.0307","","","0.0773","0.078","","","","","","1.065","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133393","10.4058","0.0003","20.8929","0.0007","13.6211","0.0005","90","","111.976","0.002","90","","2746.16","0.16","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Ge N O2 -","- C34 H29 Ge N O2 -","- C136 H116 Ge4 N4 O8 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0334","0.0255","","","0.0635","0.0674","","","","","","1.021","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133394","11.7444","0.0005","15.9338","0.0008","32.3292","0.0016","90","","92.83","0.003","90","","6042.5","0.5","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Ge N O3 Si -","- C30 H37 Ge N O3 Si -","- C240 H296 Ge8 N8 O24 Si8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0558","0.0455","","","0.1239","0.1319","","","","","","1.031","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133395","11.4162","0.0003","16.8675","0.0005","24.7995","0.0007","90","","96.907","0.002","90","","4740.8","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F3 Ge N O2 -","- C26 H24 F3 Ge N O2 -","- C208 H192 F24 Ge8 N8 O16 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0561","0.0333","","","0.0716","0.0787","","","","","","1.006","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133396","11.0689","0.0002","17.7248","0.0003","16.4657","0.0003","90","","90.862","0.001","90","","3230.11","0.1","200","2","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Ge N O2 -","- C39 H33 Ge N O2 -","- C156 H132 Ge4 N4 O8 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0555","0.0385","","","0.0936","0.1016","","","","","","1.075","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133397","21.4118","0.0005","12.0493","0.0002","39.1926","0.0008","90","","90","","90","","10111.6","0.4","200","1","200","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C416 H416 Cl32 Ge16 N16 O32 Zn8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0726","0.0486","","","0.1156","0.126","","","","","","1.023","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133398","13.4291","0.0006","17.2102","0.0008","23.7226","0.0012","90","","90","","90","","5482.7","0.4","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C216 H224 Cl16 Ge8 N8 O16 Zn4 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0776","0.0628","","","0.1609","0.1732","","","","","","1.04","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133399","16.3298","0.0009","12.8553","0.0007","28.1785","0.0016","90","","97.582","0.002","90","","5863.6","0.6","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H35 Ge O3 P -","- C32 H35 Ge O3 P -","- C256 H280 Ge8 O24 P8 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0338","0.0273","","","0.0653","0.0683","","","","","","1.05","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133400","6.6811","0.0015","8.3367","0.0018","13.932","0.003","92.589","0.007","97.506","0.007","93.047","0.007","767.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Mn(4-mercaptomethyl-2,2'-bipyridine)(CO)3Br","","- C14 H10 Br Mn N2 O3 S -","- C14 H10 Br Mn N2 O3 S -","- C28 H20 Br2 Mn2 N4 O6 S2 -","2","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","x-ray","0.71073","MoKα","","0.1085","0.0619","","","0.1211","0.137","","","","","","1.0647","","","","has coordinates","243197","2020-10-21","18:00:00",""
"4133401","10.5295","0.0006","12.7123","0.0008","11.9526","0.0008","90","","98.859","0.002","90","","1580.82","0.17","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Re(4-methylthio-2,2'-bipyridine)(CO)3Cl","","- C14 H10 Cl N2 O3 Re S -","- C14 H10 Cl N2 O3 Re S -","- C56 H40 Cl4 N8 O12 Re4 S4 -","4","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","","0.71073","MoKα","","0.0491","0.0447","","","0.1066","0.1099","","","","","","1.0015","","","","has coordinates","243198","2020-10-21","18:00:00",""
"4133402","7.0306","0.0005","10.251","0.0007","12.9104","0.001","90","","101.624","0.004","90","","911.38","0.12","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","","0.71073","MoKα","","0.0526","0.0377","","","0.0827","0.0893","","","","","","1.0365","","","","has coordinates","243199","2020-10-21","18:00:00",""
"4133403","11.4372","0.0006","11.5112","0.0007","20.7806","0.0017","95.647","0.006","103.837","0.006","90.081","0.005","2642.7","0.3","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0583","0.0554","","","0.1401","0.142","","","","","","1.053","","","","has coordinates,has disorder","243200","2020-10-21","18:00:00",""
"4133404","11.3719","0.0002","19.8321","0.0004","12.1517","0.0002","90","","107.788","0.002","90","","2609.54","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0871","0.0879","","","","","","1.036","","","","has coordinates","243201","2020-10-21","18:00:00",""
"4133405","12.5863","0.0003","16.2257","0.0004","20.9657","0.0006","90","","100.864","0.003","90","","4204.91","0.19","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H63 K Si6 Sn -","- C27 H63 K Si6 Sn -","- C108 H252 K4 Si24 Sn4 -","4","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0678","0.0577","","","0.1308","0.1381","","","","","","1.045","","","","has coordinates,has disorder","243202","2020-10-21","18:00:00",""
"4133406","9.3269","0.0004","18.8579","0.001","9.8275","0.0004","90","","101.531","0.005","90","","1693.63","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 I O3 S -","- C34 H23 I O3 S -","- C68 H46 I2 O6 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0508","0.0371","","","0.0692","0.0752","","","","","","0.978","","","","has coordinates","243203","2020-10-21","18:00:00",""
"4133407","7.6112","0.0002","9.4733","0.0002","32.0728","0.0009","90","","90","","90","","2312.55","0.1","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0443","0.0338","","","0.0583","0.0621","","","","","","1.04","","","","has coordinates","243204","2020-10-21","18:00:00",""
"4133408","9.5781","0.0003","12.2304","0.0004","23.1878","0.0008","90","","90","","90","","2716.31","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0688","0.0462","","","0.0915","0.1002","","","","","","0.996","","","","has coordinates","243205","2020-10-21","18:00:00",""
"4133409","9.1728","0.0004","20.333","0.0007","9.8676","0.0003","90","","100.761","0.004","90","","1808.05","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H32 Cl I O5 S -","- C39 H32 Cl I O5 S -","- C78 H64 Cl2 I2 O10 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0473","0.0373","","","0.0739","0.0794","","","","","","1.056","","","","has coordinates","243206","2020-10-21","18:00:00",""
"4133410","25.7743","0.0009","16.3541","0.0005","28.9052","0.001","90","","92.161","0.004","90","","12175.3","0.7","250.2","0.3","250.2","0.3","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C352 H180 Co12 P12 Te16 -","- C349.76 H180 Co12 P12 Te15 -","- C699.52 H360 Co24 P24 Te30 -","2","0.25","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0864","0.0496","","","0.126","0.1529","","","","","","1.069","","","","has coordinates,has disorder","243207","2020-10-21","18:00:00",""
"4133411","25.3864","0.0006","16.3196","0.0003","28.8221","0.0006","90","","92.581","0.002","90","","11928.8","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C352 H180 Co12 P12 Te16 -","- C352.14 H180 Co12 P12 Te16 -","- C704.28 H360 Co24 P24 Te32 -","2","0.5","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.069","0.0454","","","0.0782","0.0869","","","","","","1.067","","","","has coordinates,has disorder","243208","2020-10-21","18:00:00",""
"4133412","16.603","0.0008","16.603","0.0008","12.9455","0.0009","90","","90","","120","","3090.5","0.3","340.3","0.4","340.3","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C176 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","1","0.0833333","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0728","0.0608","","","0.1801","0.1922","","","","","","1.071","","","","has coordinates,has disorder","243209","2020-10-21","18:00:00",""
"4133413","10.1118","0.0003","11.8308","0.0004","12.5795","0.0004","83.377","0.001","70.474","0.001","72.023","0.001","1348.98","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H31 B O3 -","- C35 H31 B O3 -","- C70 H62 B2 O6 -","2","2","","Myhill, Jesse A.; Wilhelmsen, Christopher A.; Zhang, Liang; Morken, James P.","Diastereoselective and Enantioselective Conjunctive Cross-Coupling Enabled by Boron Ligand Design.","Journal of the American Chemical Society","2018","140","45","15181","15185","10.1021/jacs.8b09909","","","1.54178","CuKα","","0.045","0.0449","","","0.1164","0.1165","","","","","","1.022","","","","has coordinates","243210","2020-10-21","18:00:00",""
"4133414","12.0274","0.0002","14.89","0.0003","20.8508","0.0004","90","","94.768","0.007","90","","3721.21","0.13","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F12 N4 O P3 Ru -","- C37 H27 F12 N4 O P3 Ru -","- C148 H108 F48 N16 O4 P12 Ru4 -","4","1","","Lee, Sze Koon; Kondo, Mio; Okamura, Masaya; Enomoto, Takafumi; Nakamura, Go; Masaoka, Shigeyuki","Function-Integrated Ru Catalyst for Photochemical CO<sub>2</sub> Reduction.","Journal of the American Chemical Society","2018","140","49","16899","16903","10.1021/jacs.8b09933","","x-ray","0.71073","MoKα","","0.0372","0.0276","","","0.0618","0.0648","","","","","","1.034","","","","has coordinates","243211","2020-10-21","18:00:00",""
"4133417","14.2765","0.001","14.3034","0.0008","23.7048","0.0018","72.614","0.002","87.529","0.002","67.645","0.002","4258.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H71 Cl2 Mn4 N6 O13 P3 -","- C94 H71 Cl2 Mn4 N6 O13 P3 -","- C188 H142 Cl4 Mn8 N12 O26 P6 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.078","0.0495","","","0.1122","0.1244","","","","","","1.012","","","","has coordinates","243214","2020-10-21","18:00:00",""
"4133418","14.3608","0.0009","27.4932","0.0017","23.6617","0.0014","90","","101.255","0.002","90","","9162.5","1","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C95 H71 Cl2 F3 Mn4 N6 O16 P3 S -","- C95 H71 Cl2 F3 Mn4 N6 O16 P3 S -","- C380 H284 Cl8 F12 Mn16 N24 O64 P12 S4 -","4","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0861","0.059","","","0.1539","0.1739","","","","","","1.049","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133419","13.2586","0.0018","15.443","0.003","18.255","0.003","89.004","0.005","85.374","0.005","82.474","0.005","3693.4","1.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73.55 H56 Cl2.51 Mn4 N8 O12.57 -","- C73.542 H56 Cl2.508 Mn4 N8 O12.572 -","- C147.084 H112 Cl5.016 Mn8 N16 O25.144 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0781","0.0626","","","0.1885","0.2028","","","","","","1.052","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133420","12.925","0.002","15.479","0.002","18.467","0.003","81.151","0.006","84.367","0.006","66.925","0.007","3355.7","0.9","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H57 Cl2 F3 Mn4 N8 O14 S -","- C68 H57 Cl2 F3 Mn4 N8 O14 S -","- C136 H114 Cl4 F6 Mn8 N16 O28 S2 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","1.54178","CuKα","","0.1078","0.0786","","","0.2145","0.2416","","","","","","1.029","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133421","41.9795","0.0015","15.5642","0.0008","26.7105","0.0008","90","","122.423","0.001","90","","14731.5","1","100","2","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H65 F6 Mn4 N8 O15 S -","- C77 H65 F6 Mn4 N8 O15 S -","- C616 H520 F48 Mn32 N64 O120 S8 -","8","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0991","0.0766","","","0.2334","0.2585","","","","","","1.051","","","","has coordinates","243214","2020-10-21","18:00:00",""
"4133422","14.5237","0.0008","23.9029","0.0014","38.344","0.002","90","","90.844","0.004","90","","13310","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H104 La3 N16 O32 -","- C104 H104 La3 N16 O32 -","- C416 H416 La12 N64 O128 -","4","1","","Wang, Xiaozhu; Jaraquemada-Peláez, María de Guadalupe; Rodríguez-Rodríguez, Cristina; Cao, Yang; Buchwalder, Christian; Choudhary, Neha; Jermilova, Una; Ramogida, Caterina F.; Saatchi, Katayoun; Häfeli, Urs O; Patrick, Brian O.; Orvig, Chris","H<sub>4</sub>octox: Versatile Bimodal Octadentate Acyclic Chelating Ligand for Medicinal Inorganic Chemistry.","Journal of the American Chemical Society","2018","140","45","15487","15500","10.1021/jacs.8b09964","","x-ray","0.71073","MoKα","","0.0851","0.0661","","","0.1742","0.1854","","","","","","1.039","","","","has coordinates,has disorder","243215","2020-10-21","18:00:00",""
"4133423","8.6052","0.0004","10.8224","0.0006","16.0638","0.0008","72.9449","0.0006","78.4844","0.0007","73.8845","0.0006","1362.58","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C50 H74 Br2 Cl2 N2 O8 Si2 -","2","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0285","0.0249","","","0.062","0.0639","","","","","","1.04","","","","has coordinates","243216","2020-10-21","18:00:00",""
"4133424","15.3662","0.001","13.9849","0.0009","17.6635","0.0011","90","","97.3964","0.0008","90","","3764.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0526","0.0441","","","0.1102","0.1163","","","","","","1.032","","","","has coordinates","243217","2020-10-21","18:00:00",""
"4133425","7.9555","0.0007","16.5243","0.0015","21.253","0.002","90","","90","","90","","2793.9","0.4","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C100 H148 Br4 Cl4 N4 O16 Si4 -","4","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0799","0.0734","","","0.1781","0.1815","","","","","","1.076","","","","has coordinates","243218","2020-10-21","18:00:00",""
"4133426","17.139","0.002","17.0795","0.0018","20.123","0.002","90","","98.862","0.005","90","","5820.2","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","q07jf128_200K","","","- C76 H64 O -","- C76 H64 O -","- C304 H256 O4 -","4","1","","Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario","π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.","Journal of the American Chemical Society","2018","140","49","17188","17196","10.1021/jacs.8b09992","","","0.71073","MoKα","","0.4528","0.1804","","","0.3883","0.5311","","","","","","1.036","","","","has coordinates","243219","2020-10-21","18:00:00",""
"4133427","12.7107","0.0005","16.888","0.0007","17.1768","0.0008","93.094","0.002","100.081","0.002","107.113","0.002","3447.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","jf130_200K","","","- C78 H61 Cl3.5 O1.5 -","- C78 H61 Cl3.5 O1.5 -","- C156 H122 Cl7 O3 -","2","1","","Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario","π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.","Journal of the American Chemical Society","2018","140","49","17188","17196","10.1021/jacs.8b09992","","","0.71073","MoKα","","0.2383","0.1801","","","0.501","0.552","","","","","","1.216","","","","has coordinates","243219","2020-10-21","18:00:00",""
"4133428","9.0211","0.0004","9.8773","0.0005","12.0584","0.0006","90.0808","0.0016","99.2615","0.0016","91.3378","0.0016","1060.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","QC279","","","- C9 H8 F N3 O4 S -","- C9 H8 F N3 O4 S -","- C36 H32 F4 N12 O16 S4 -","4","2","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0447","0.0397","","","0.1014","0.1048","","","","","","1.081","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133429","26.7901","0.0006","26.7901","0.0006","5.9921","0.0001","90","","90","","120","","3724.42","0.13","100","2","100","2","","","","","","","","4","P 65","P 65","170","QC469","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C174 H174 N6 O24 -","6","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0472","0.0403","","","0.0971","0.0994","","","","","","1.064","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133430","11.1451","0.0004","16.3538","0.0006","10.6857","0.0004","90","","90","","90","","1947.63","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","ef-89","","","- C22 H17 N O4 S2 -","- C22 H17 N O4 S2 -","- C88 H68 N4 O16 S8 -","4","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0461","0.0404","","","0.0986","0.1047","","","","","","1.077","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133431","27.392","0.003","8.3185","0.0007","18.8264","0.0019","90","","126.339","0.003","90","","3455.5","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 F3 O3 -","- C20 H17 F3 O3 -","- C160 H136 F24 O24 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0915","0.0601","","","0.1549","0.1744","","","","","","1.011","","","","has coordinates","243221","2020-10-21","18:00:00",""
"4133432","6.3241","0.0004","8.6365","0.0005","41.542","0.002","90","","90","","90","","2268.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br5 O2 -","- C22 H17 Br5 O2 -","- C88 H68 Br20 O8 -","4","1","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0467","0.0338","","","0.0612","0.0643","","","","","","0.999","","","","has coordinates","243222","2020-10-21","18:00:00",""
"4133433","5.766","0.0005","17.9957","0.0014","21.5234","0.0015","90","","90","","90","","2233.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","1.54178","CuKα","","0.0411","0.0368","","","0.0908","0.0936","","","","","","1.068","","","","has coordinates","243223","2020-10-21","18:00:00",""
"4133447","6.3235","0.0001","8.7307","0.0002","16.0117","0.0003","92.4545","0.0011","91.3114","0.0011","107.094","0.001","843.57","0.03","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","1","1","","Liu, Guofeng; Sheng, Jianhui; Teo, Wei Liang; Yang, Guangbao; Wu, Hongwei; Li, Yongxin; Zhao, Yanli","Control on Dimensions and Supramolecular Chirality of Self-Assemblies through Light and Metal Ions.","Journal of the American Chemical Society","2018","140","47","16275","16283","10.1021/jacs.8b10024","","","1.54178","CuKα","","0.0482","0.0469","","","0.1188","0.1216","","","","","","1.067","","","","has coordinates,has disorder","243225","2020-10-21","18:00:00",""
"4133448","13.1308","0.0006","14.3903","0.0007","22.4509","0.0011","94.5275","0.0008","91.9082","0.0008","100.816","0.0008","4148.9","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C86 H76 B F24 Fe6 N12 O2 -","- C86 H76 B F24 Fe6 N12 O2 -","- C172 H152 B2 F48 Fe12 N24 O4 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.1208","0.0619","","","0.1353","0.1595","","","","","","1.021","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133449","12.9618","0.0009","13.4006","0.001","23.834","0.0018","91.711","0.002","104.785","0.0019","117.907","0.0018","3482.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H78 F6 Fe6 N18 P -","- C76 H78 F6 Fe6 N18 P -","- C152 H156 F12 Fe12 N36 P2 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.41328","synchrotron","","0.0583","0.0376","","","0.0935","0.11","","","","","","1.094","","","","has coordinates","243226","2020-10-21","18:00:00",""
"4133450","23.0565","0.0018","15.886","0.0012","17.9778","0.0014","90","","105.974","0.001","90","","6330.6","0.8","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Fe6 N13 -","- C62 H84 Fe6 N13 -","- C248 H336 Fe24 N52 -","4","0.5","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.0355","0.0256","","","0.0577","0.0602","","","","","","1.032","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133451","13.473","0.0006","15.5825","0.0007","17.2825","0.0007","100.978","0.0014","107.685","0.0013","98.7756","0.0014","3306.6","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H97 Fe6 N12 O4 P -","- C70 H97 Fe6 N12 O4 P -","- C140 H194 Fe12 N24 O8 P2 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.0633","0.0431","","","0.0946","0.1044","","","","","","1.043","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133452","13.945","0.003","14.132","0.003","15.316","0.003","95.563","0.003","103.823","0.003","117.557","0.003","2521.8","0.9","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C110 H152 Fe6 N18 -","- C110 H152 Fe6 N18 -","- C110 H152 Fe6 N18 -","1","0.5","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.1589","0.0647","","","0.1056","0.1307","","","","","","0.937","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133453","29.594","0.006","27.812","0.006","30.175","0.006","90","","95.96","0.03","90","","24702","9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C348 H476 Cl20 Fe32 N12 O100 -","- C348 H431 Cl20 Fe32 N12 O100 -","- C696 H862 Cl40 Fe64 N24 O200 -","2","0.5","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; White, Joshua; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Kelley, Steven P.; Barnes, Charles L.; Atwood, Jerry L.","Site-Specific Metal Chelation Facilitates the Unveiling of Hidden Coordination Sites in an Fe<sup>II</sup>/Fe<sup>III</sup>-Seamed Pyrogallol[4]arene Nanocapsule.","Journal of the American Chemical Society","2018","140","46","15611","15615","10.1021/jacs.8b10186","","","1.54184","CuKα","","0.186","0.1166","","","0.255","0.2997","","","","","","1.034","","","","has coordinates,has disorder","243227","2020-10-21","18:00:00",""
"4133454","12.2367","0.0003","12.6872","0.0003","22.0591","0.0005","96.517","0.001","100.607","0.001","113.124","0.001","3029.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H94 N6 O11 -","- C63 H94 N6 O11 -","- C126 H188 N12 O22 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","1.54178","CuKα","","0.0778","0.065","","","0.1805","0.1913","","","","","","1.028","","","","has coordinates,has disorder","243228","2020-10-21","18:00:00",""
"4133455","12.4803","0.0008","13.1925","0.0009","22.0752","0.0012","97.674","0.005","99.394","0.005","113.819","0.006","3199.3","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H82 N3 O10 -","- C66 H82 N3 O10 -","- C132 H164 N6 O20 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.1462","0.0907","","","0.2591","0.3215","","","","","","1.035","","","","has coordinates,has disorder","243229","2020-10-21","18:00:00",""
"4133456","18.251","0.002","12.4803","0.0013","25.254","0.003","90","","94.868","0.01","90","","5731.6","1.1","154.7","","154.7","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C60 H83 N3 O10.5 -","- C60 H83 N3 O10.5 -","- C240 H332 N12 O42 -","4","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.2155","0.1157","","","0.2672","0.3411","","","","","","1.035","","","","has coordinates,has disorder","243230","2020-10-21","18:00:00",""
"4133457","12.4043","0.0003","12.7618","0.0003","22.4296","0.0005","97.336","0.001","100.5","0.001","113.674","0.001","3116.82","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H95 N3 O10 -","- C66 H95 N3 O10 -","- C132 H190 N6 O20 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","1.54178","CuKα","","0.0711","0.0637","","","0.1787","0.1854","","","","","","1.052","","","","has coordinates,has disorder","243231","2020-10-21","18:00:00",""
"4133458","12.2429","0.0006","12.5858","0.0007","22.187","0.0009","96.046","0.004","101.187","0.004","114.345","0.005","2989.2","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H89 N3 O11 -","- C63 H89 N3 O11 -","- C126 H178 N6 O22 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.111","0.0792","","","0.2139","0.2472","","","","","","1.04","","","","has coordinates","243232","2020-10-21","18:00:00",""
"4133459","6.764","0.004","7.374","0.005","8.058","0.005","98.976","0.011","100.324","0.011","109.945","0.01","361.3","0.4","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","formamidinium nitroformate","formamidinium nitroformate","","- C2 H5 N5 O6 -","- C2 H5 N5 O6 -","- C4 H10 N10 O12 -","2","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.1238","0.0525","","","0.0989","0.1255","","","","","","0.967","","","","has coordinates","243233","2020-10-21","18:00:00",""
"4133460","10.023","0.004","9.24","0.003","8.25","0.003","90","","116.017","0.005","90","","686.6","0.4","100","2","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","ethylenediammonium dinitroformate","","- C4 H10 N8 O12 -","- C4 H10 N8 O12 -","- C8 H20 N16 O24 -","2","0.25","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0386","0.0327","","","0.0845","0.0882","","","","","","1.051","","","","has coordinates","243234","2020-10-21","18:00:00",""
"4133461","7.409","0.003","9.031","0.004","12.671","0.005","90","","92.666","0.007","90","","846.9","0.6","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylammonium nitroformate","","- C3 H8 N4 O6 -","- C3 H8 N4 O6 -","- C12 H32 N16 O24 -","4","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0672","0.0385","","","0.112","0.133","","","","","","0.92","","","","has coordinates","243235","2020-10-21","18:00:00",""
"4133462","8.5003","0.0011","9.2107","0.0012","10.3713","0.0014","90","","108.348","0.002","90","","770.73","0.18","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylhydrazinium nitroformate","","- C2 H7 N5 O6 -","- C2 H7 N5 O6 -","- C8 H28 N20 O24 -","4","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","x-ray","0.71073","MoKα","","0.0525","0.0338","","","0.0769","0.0855","","","","","","1.037","","","","has coordinates","243236","2020-10-21","18:00:00",""
"4133463","8.226","0.002","8.403","0.002","10.367","0.003","90","","90","","90","","716.6","0.3","100","1","99.99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","methylammonium nitroformate","","- C2 H6 N4 O6 -","- C2 H6 N4 O6 -","- C8 H24 N16 O24 -","4","0.5","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0429","0.035","","","0.0915","0.0975","","","","","","1.0816","","","","has coordinates,has disorder","243237","2020-10-21","18:00:00",""
"4133464","11.8977","0.0008","12.077","0.0008","12.1695","0.0008","76.118","0.001","89.803","0.001","84.021","0.001","1687.89","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3ag","","","- C34 H43 Br N2 O4 S Si -","- C34 H43 Br N2 O4 S Si -","- C68 H86 Br2 N4 O8 S2 Si2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0627","0.0389","","","0.0825","0.0918","","","","","","1.01","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133465","7.3353","0.0002","14.8015","0.0005","11.0786","0.0004","90","","103.001","0.001","90","","1172.01","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0384","0.0341","","","0.0867","0.0899","","","","","","1.043","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133466","9.084","0.0004","6.6655","0.0003","18.9521","0.0008","90","","98.78","0.001","90","","1134.09","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","cis-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","x-ray","0.71073","MoKα","","0.0344","0.0315","","","0.0753","0.0769","","","","","","1.02","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133471","16.056","0.018","15.486","0.017","17.51","0.03","90","","111.03","0.04","90","","4064","10","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Mn(III)(TBDAP)(OH)(PhIO)](OTf)2","","","- C32 H44 F6 I Mn N4 O9 S2 -","- C32 H44 F6 I Mn N4 O9 S2 -","- C128 H176 F24 I4 Mn4 N16 O36 S8 -","4","1","","Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Structure and Reactivity of a Mononuclear Nonheme Manganese(III)-Iodosylarene Complex.","Journal of the American Chemical Society","2018","140","47","16037","16041","10.1021/jacs.8b10244","","","0.71073","MoKa","","0.0827","0.0525","","","0.1123","0.126","","","","","","1.043","","","","has coordinates","243240","2020-10-21","18:00:00",""
"4133476","6.7382","0.0005","13.5359","0.0009","14.4823","0.0009","90","","95.384","0.004","90","","1315.07","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","0.71073","MoKα","","0.0929","0.054","","","0.143","0.1661","","","","","","1.027","","","","has coordinates","243245","2020-10-21","18:00:00",""
"4133477","8.9801","0.0003","10.7996","0.0004","12.6811","0.0004","112.362","0.0013","97.0307","0.0013","106.717","0.0012","1051.3","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 B10 -","- C18 H28 B10 -","- C36 H56 B20 -","2","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.0848","0.0702","","","0.202","0.2176","","","","","","1.066","","","","has coordinates","243246","2020-10-21","18:00:00",""
"4133478","10.227","0.0005","7.9359","0.0003","26.7561","0.0013","90","","91.4085","0.0016","90","","2170.88","0.17","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 B10 -","- C17 H30 B10 -","- C68 H120 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","0.71073","MoKα","","0.1095","0.0663","","","0.1706","0.2038","","","","","","1.019","","","","has coordinates","243247","2020-10-21","18:00:00",""
"4133479","11.9901","0.0009","13.1211","0.0011","9.2461","0.0006","90","","90","","90","","1454.63","0.19","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.13","0.0639","","","0.1465","0.1823","","","","","","1.014","","","","has coordinates","243248","2020-10-21","18:00:00",""
"4133484","9.52","0.0002","13.4283","0.0004","20.6016","0.0006","90","","90","","90","","2633.66","0.12","100","","99.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-((1S,2S)-1-(2,6-dimethylphenyl)-4-phenyl-2-(phenylthio)butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C30 H37 B O2 S -","- C30 H37 B O2 S -","- C120 H148 B4 O8 S4 -","4","1","","Tao, Zhonglin; Robb, Kevin A.; Panger, Jesse L.; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed Carbosulfenylation of Alkenylboronates by 1,2-Boronate Migration.","Journal of the American Chemical Society","2018","140","46","15621","15625","10.1021/jacs.8b10288","","","0.71073","MoKα","","0.0337","0.0306","","","0.0715","0.0733","","","","","","1.0408","","","","has coordinates","243253","2020-10-21","18:00:00",""
"4133486","5.028","0.001","10.144","0.002","10.796","0.002","109.16","0.03","95.29","0.03","92.72","0.03","516.2","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C22 H22 F6 O4 -","2","1","","Liu, Jie; Wei, Yongliang; Tang, Pingping","Cobalt-Catalyzed Trifluoromethoxylation of Epoxides.","Journal of the American Chemical Society","2018","140","45","15194","15199","10.1021/jacs.8b10298","","","0.71073","MoKα","","0.0981","0.0533","","","0.1077","0.1246","","","","","","0.995","","","","has coordinates","243255","2020-10-21","18:00:00",""
"4133487","8.6067","0.0012","9.8761","0.0015","21.569","0.003","90","","90","","90","","1833.4","0.5","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1029","0.0735","","","0.1997","0.2157","","","","","","1.094","","","","has coordinates","243256","2020-10-21","18:00:00",""
"4133488","8.6046","0.001","9.8826","0.0011","21.43","0.003","90","","90","","90","","1822.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0809","0.056","","","0.1452","0.1589","","","","","","1.041","","","","has coordinates","243257","2020-10-21","18:00:00",""
"4133489","8.6191","0.0016","9.901","0.0019","21.737","0.004","90","","90","","90","","1855","0.6","269","2","269","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1025","0.0732","","","0.199","0.2149","","","","","","1.094","","","","has coordinates","243258","2020-10-21","18:00:00",""
"4133490","8.7702","0.0018","9.952","0.002","21.743","0.004","90","","90","","90","","1897.8","0.6","310","2","310","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1024","0.0717","","","0.1967","0.2173","","","","","","1.053","","","","has coordinates","243259","2020-10-21","18:00:00",""
"4133491","8.7678","0.0017","9.943","0.002","21.634","0.004","90","","90","","90","","1886","0.6","279","2","279","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.103","0.0713","","","0.1906","0.2115","","","","","","1.058","","","","has coordinates","243260","2020-10-21","18:00:00",""
"4133492","8.6175","0.0016","9.8992","0.0019","21.74","0.004","90","","90","","90","","1854.6","0.6","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1014","0.0747","","","0.201","0.2152","","","","","","1.089","","","","has coordinates","243261","2020-10-21","18:00:00",""
"4133493","8.6168","0.0015","9.898","0.0019","21.715","0.004","90","","90","","90","","1852.1","0.6","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0974","0.0717","","","0.1987","0.2129","","","","","","1.092","","","","has coordinates","243262","2020-10-21","18:00:00",""
"4133494","8.6152","0.0015","9.8905","0.0018","21.64","0.004","90","","90","","90","","1843.9","0.6","229","2","229","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0857","0.0689","","","0.1886","0.1999","","","","","","1.085","","","","has coordinates","243263","2020-10-21","18:00:00",""
"4133495","8.6189","0.0016","9.8998","0.0019","21.717","0.004","90","","90","","90","","1853","0.6","259","2","259","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0884","0.071","","","0.1935","0.2053","","","","","","1.079","","","","has coordinates","243264","2020-10-21","18:00:00",""
"4133496","8.7703","0.0018","9.946","0.002","21.667","0.005","90","","90","","90","","1890","0.7","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1053","0.0726","","","0.199","0.2201","","","","","","1.068","","","","has coordinates","243265","2020-10-21","18:00:00",""
"4133497","8.6116","0.0013","9.885","0.0016","21.582","0.003","90","","90","","90","","1837.2","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.099","0.0698","","","0.187","0.2009","","","","","","1.085","","","","has coordinates","243266","2020-10-21","18:00:00",""
"4133498","8.6181","0.0015","9.8959","0.0018","21.651","0.004","90","","90","","90","","1846.5","0.6","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1027","0.0734","","","0.2004","0.2165","","","","","","1.092","","","","has coordinates","243267","2020-10-21","18:00:00",""
"4133499","8.7614","0.0017","9.9569","0.0015","21.863","0.004","90","","90","","90","","1907.2","0.6","340","2","340","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0973","0.0618","","","0.1841","0.2055","","","","","","1.061","","","","has coordinates","243268","2020-10-21","18:00:00",""
"4133500","8.7668","0.0016","9.9419","0.0019","21.658","0.004","90","","90","","90","","1887.7","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1001","0.0709","","","0.1934","0.2105","","","","","","1.046","","","","has coordinates","243270","2020-10-21","18:00:00",""
"4133501","8.824","0.0003","13.4501","0.0005","15.5579","0.0006","67.708","0.004","74.052","0.003","86.15","0.003","1641.28","0.12","99.8","0.8","99.8","0.8","","","","","","","","2","P -1","-P 1","2","","","","- C43 H46 -","- C43 H46 -","- C86 H92 -","2","1","","Choi, Inho; Yang, Sanghee; Choi, Tae-Lim","Preparing Semiconducting Nanoribbons with Tunable Length and Width via Crystallization-Driven Self-Assembly of a Simple Conjugated Homopolymer.","Journal of the American Chemical Society","2018","140","49","17218","17225","10.1021/jacs.8b10406","","x-ray","1.54184","CuKα","","0.063","0.058","","","0.1473","0.1509","","","","","","1.092","","","","has coordinates","243271","2020-10-21","18:00:00",""
"4133502","25.18","0.003","15.2158","0.0018","19.325","0.002","90","","92.509","0.002","90","","7397","1.5","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C118 H46 Cl6 N4 Ni S0 U -","- C118 H46 Cl6 N4 Ni U0.9996 -","- C472 H184 Cl24 N16 Ni4 U3.9984 -","4","0.5","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","0.71073","MoKα","","0.1842","0.1285","","","0.3656","0.3941","","","","","","1.403","","","","has coordinates,has disorder","243272","2020-10-21","18:00:00",""
"4133503","18.686","0.005","15.184","0.004","25.496","0.006","90","","91.39","0.006","90","","7232","3","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C113 H45 Cl3 I0 N4 Ni S0 U -","- C113 H45 Cl3 N4 Ni U -","- C452 H180 Cl12 N16 Ni4 U4 -","4","1","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","0.71073","MoKα","","0.1754","0.1236","","","0.3435","0.375","","","","","","1.263","","","","has coordinates,has disorder","243273","2020-10-21","18:00:00",""
"4133504","45.4289","0.0008","15.0655","0.0003","25.2663","0.0004","90","","120.302","0.001","90","","14930","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Th@C80/NiOEP/2(C6H6)","","","- C128 H56 N4 Ni Th -","- C128 H56 N4 Ni Th0.9996 -","- C1024 H448 N32 Ni8 Th7.9968 -","8","1","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","1.54178","CuKα","","0.1023","0.0967","","","0.2672","0.2743","","","","","","1.039","","","","has coordinates,has disorder","243274","2020-10-21","18:00:00",""
"4133505","9.7778","0.0003","10.9762","0.0003","23.229","0.0006","90","","93.747","0.002","90","","2487.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N3 O7 S -","- C26 H27 N3 O7 S -","- C104 H108 N12 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0531","0.0376","","","0.0842","0.0913","","","","","","1.019","","","","has coordinates,has disorder","243275","2020-10-21","18:00:00",""
"4133506","8.2302","0.0002","15.7113","0.0004","11.2016","0.0003","90","","93.2127","0.0014","90","","1446.17","0.06","100","","100.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0383","0.0336","","","0.0886","0.0918","","","","","","1.037","","","","has coordinates","243276","2020-10-21","18:00:00",""
"4133507","5.7714","0.0002","7.3205","0.0002","22.5971","0.0007","90","","90","","90","","954.72","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N -","- C11 H12 Cl N -","- C44 H48 Cl4 N4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0338","0.0287","","","0.0633","0.0653","","","","","","1.053","","","","has coordinates,has disorder","243277","2020-10-21","18:00:00",""
"4133508","12.6","0.0003","14.7908","0.0004","13.3412","0.0004","90","","105.054","0.002","90","","2400.99","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O7 S -","- C26 H28 N2 O7 S -","- C104 H112 N8 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0527","0.0379","","","0.0897","0.0967","","","","","","1.025","","","","has coordinates","243278","2020-10-21","18:00:00",""
"4133509","16.3198","0.0011","12.408","0.0008","13.98","0.001","90","","113.396","0.004","90","","2598.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F3 N2 O7 S -","- C24 H31 F3 N2 O7 S -","- C96 H124 F12 N8 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.063","0.0436","","","0.1219","0.1402","","","","","","0.968","","","","has coordinates","243279","2020-10-21","18:00:00",""
"4133516","32.4628","0.0015","19.1378","0.001","14.8992","0.0008","90","","116.386","0.002","90","","8292","0.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 N9 O9 -","- C45 H51 N9 O9 -","- C360 H408 N72 O72 -","8","1","","Zhao, Chenfei; Diercks, Christian S.; Zhu, Chenhui; Hanikel, Nikita; Pei, Xiaokun; Yaghi, Omar M.","Urea-Linked Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","48","16438","16441","10.1021/jacs.8b10612","","x-ray","0.71073","MoKα","","0.1027","0.0842","","","0.2357","0.2604","","","","","","0.983","","","","has coordinates","243286","2020-10-21","18:00:00",""
"4133517","27.5497","0.0007","16.772","0.0005","24.5756","0.0007","90","","96.29","0.001","90","","11287.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[Cu(PPh2C4)2phen]2(PF6)2","","- C123 H119 Cu2 F12 N9 O P6 -","- C123 H119 Cu2 F12 N9 O P6 -","- C492 H476 Cu8 F48 N36 O4 P24 -","4","0.5","","Takeda, Hiroyuki; Kamiyama, Hiroko; Okamoto, Kouhei; Irimajiri, Mina; Mizutani, Toshihide; Koike, Kazuhide; Sekine, Akiko; Ishitani, Osamu","Highly Efficient and Robust Photocatalytic Systems for CO<sub>2</sub> Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts.","Journal of the American Chemical Society","2018","140","49","17241","17254","10.1021/jacs.8b10619","","","1.54178","CuKα","","0.1023","0.0842","","","0.2306","0.2507","","","","","","1.078","","","","has coordinates,has disorder","243287","2020-10-21","18:00:00",""
"4133518","8.3514","0.0004","13.3861","0.0006","15.2817","0.0007","83.607","0.002","86.533","0.002","87.048","0.002","1692.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","175-F1","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","2","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0611","0.042","","","0.0934","0.1041","","","","","","1.039","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133519","13.0489","0.0003","15.1168","0.0004","16.9239","0.0004","90","","90","","90","","3338.37","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","175-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0489","0.0347","","","0.081","0.092","","","","","","1.07","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133520","10.0205","0.0003","10.8597","0.0003","16.2287","0.0005","81.764","0.001","80.799","0.001","85.353","0.001","1722.24","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","175-B-F1","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","2","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0573","0.0417","","","0.0922","0.1012","","","","","","1.023","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133521","10.3115","0.0003","12.0645","0.0003","13.9574","0.0003","90","","90","","90","","1736.34","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","175-B-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0297","0.0271","","","0.0627","0.0644","","","","","","1.08","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133522","6.905","0.0002","20.104","0.0006","22.846","0.0006","90","","90","","90","","3171.44","0.16","298","","298","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Br F5 N2 O Pd -","- C16 H8 Br F5 N2 O Pd -","- C128 H64 Br8 F40 N16 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0625","0.0364","","","0.0741","0.0843","","","","","","1.0365","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133523","7.4795","0.0004","12.5387","0.0007","12.6596","0.0006","71.425","0.005","83.843","0.004","75.99","0.005","1091.35","0.11","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 F5 N3 O3 Pd -","- C21 H16 F5 N3 O3 Pd -","- C42 H32 F10 N6 O6 Pd2 -","2","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0712","0.0485","","","0.1204","0.1624","","","","","","0.9654","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133524","7.8072","0.0003","15.7255","0.0006","32.2864","0.0016","90","","90","","90","","3963.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F3 N3 O Pd -","- C22 H16 F3 N3 O Pd -","- C176 H128 F24 N24 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0977","0.0512","","","0.0909","0.1122","","","","","","1.065","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133525","9.6036","0.0005","47.197","0.002","7.3012","0.0004","90","","90","","90","","3309.4","0.3","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C152 H168 N8 O16 -","4","1","","Zhang, Hong-Hao; Zhao, Jia-Jia; Yu, Shouyun","Enantioselective Allylic Alkylation with 4-Alkyl-1,4-dihydro-pyridines Enabled by Photoredox/Palladium Cocatalysis.","Journal of the American Chemical Society","2018","140","49","16914","16919","10.1021/jacs.8b10766","","","1.34139","GaKα","","0.1524","0.1359","","","0.3285","0.344","","","","","","1.077","","","","has coordinates,has disorder","243290","2020-10-21","18:00:00",""
"4133529","7.2267","0.0008","10.4032","0.0012","14.3685","0.0016","90","","96.435","0.002","90","","1073.4","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Br Fe N3 O -","- C23 H24 Br Fe N3 O -","- C46 H48 Br2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","0.71073","MoKα","","0.0287","0.0259","","","0.0597","0.0604","","","","","","1.01","","","","has coordinates","243294","2020-10-21","18:00:00",""
"4133530","7.2168","0.0002","10.3152","0.0003","14.2483","0.0004","90","","95.891","0.002","90","","1055.08","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl Fe N3 O -","- C23 H24 Cl Fe N3 O -","- C46 H48 Cl2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","1.54184","CuKα","","0.053","0.0427","","","0.084","0.0866","","","","","","0.938","","","","has coordinates","243295","2020-10-21","18:00:00",""
"4133531","9.323","0.0004","15.2792","0.0006","15.3454","0.0006","90","","90","","90","","2185.92","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Pizzolato, Stefano F.; Štacko, Peter; Kistemaker, Jos C. M.; van Leeuwen, Thomas; Otten, Edwin; Feringa, Ben L.","Central-to-Helical-to-Axial-to-Central Transfer of Chirality with a Photoresponsive Catalyst.","Journal of the American Chemical Society","2018","140","49","17278","17289","10.1021/jacs.8b10816","","","1.54178","CuKα","","0.0319","0.0299","","","0.071","0.0728","","","","","","1.094","","","","has coordinates","243296","2020-10-21","18:00:00",""
"4133532","15.49","0.005","16.481","0.005","21.309","0.005","90","","90","","90","","5440","3","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H66.5 N8 O35 S6 V5 W -","- C14 H54.5 N7 O39 S7 V5 W -","- C56 H218 N28 O156 S28 V20 W4 -","4","1","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.0405","0.0379","","","0.102","0.1037","","","","","","1.122","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133533","55.536","0.009","55.536","0.009","35.633","0.006","90","","90","","90","","109901","3","292","2","291.99","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C240 H120 O313.5 S12 V65 W15 -","- C240 H120 O313.5 S12 V65 W15 -","- C960 H480 O1254 S48 V260 W60 -","4","0.25","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71073","MoKα","","0.2339","0.1694","","","0.4577","0.5044","","","","","","1.198","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133534","43.2511","0.0016","43.2511","0.0016","39.0469","0.0013","90","","90","","90","","73043","5","173","2","173.02","","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C450 H540 N45 O323.5 S12 V65 W15 -","- C350 O264 V60 W12 -","- C700 O528 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","x-ray","1.54178","CuKα","","0.13","0.0825","","","0.2223","0.2612","","","","","","1.044","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133535","51.595","0.005","29.778","0.005","29.872","0.005","90","","110.903","0.005","90","","42875","11","293","2","293","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C268 H412 N44 O316 S16 V60 W12 -","- C220 H208 N20 O316 S16.0002 V60 W12 -","- C440 H416 N40 O632 S32.0004 V120 W24 -","2","0.25","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.1675","0.0772","","","0.1915","0.244","","","","","","1","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133536","41.174","0.005","41.174","0.005","53.404","0.014","90","","90","","90","","90536","3","293","2","293","2","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C556 H544 N98 O304 S12 V60 W12 -","- C480 H240 N60 O304 S12 V60 W12 -","- C960 H480 N120 O608 S24 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71073","MoKα","","0.3943","0.2105","","","0.4703","0.535","","","","","","1.41","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133537","41.893","0.003","41.893","0.003","53.783","0.004","90","","90","","90","","94390","12","173","2","173.02","","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C540 H240 N60 O324 S10 V60 W12 -","- C540 H240 N60 O324 S10 V60 W12 -","- C1080 H480 N120 O648 S20 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","x-ray","1.54178","CuKα","","0.2185","0.1385","","","0.3897","0.4988","","","","","","1.013","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133538","6.6824","0.0004","6.7915","0.0005","19.0741","0.0011","90","","100.083","0.004","90","","852.28","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","","Zhou, Yuebiao; Shi, Ying; Torker, Sebastian; Hoveyda, Amir H.","S<sub>N</sub>2″-Selective and Enantioselective Substitution with Unsaturated Organoboron Compounds and Catalyzed by a Sulfonate-Containing NHC-Cu Complex.","Journal of the American Chemical Society","2018","140","48","16842","16854","10.1021/jacs.8b10885","","","1.54178","CuKα","","0.0381","0.0365","","","0.0915","0.0928","","","","","","1.052","","","","has coordinates","243298","2020-10-21","18:00:00",""
"4133539","15.2986","0.0007","23.8567","0.0011","18.6523","0.0009","90","","96.007","0.001","90","","6770.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H105 I N2 O0.5 U -","- C74 H105 I N2 O0.5 U -","- C296 H420 I4 N8 O2 U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0401","0.0268","","","0.0552","0.0593","","","","","","1.011","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133540","18.0536","0.0013","16.8949","0.0012","22.7572","0.0016","90","","106.972","0.001","90","","6639","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O U -","- C76 H108 N2 O U -","- C304 H432 N8 O4 U4 -","4","0.5","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0317","0.0274","","","0.0686","0.0708","","","","","","1.07","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133541","14.7775","0.0002","16.4035","0.0002","41.8881","0.0006","90","","90.893","0.001","90","","10152.6","0.2","172.98","","172.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H114.5 B F24 N2 O0.25 U -","- C105 H114.5 B F23.9997 N2 O0.25 U -","- C420 H458 B4 F95.9988 N8 O U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","1.54178","CuKα","","0.0954","0.0572","","","0.1242","0.1415","","","","","","1.014","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133542","13.3008","0.0015","15.0013","0.0017","36.19","0.004","90","","94.323","0.001","90","","7200.4","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H114 I N2 U -","- C78 H114 I N2 U -","- C312 H456 I4 N8 U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0464","0.0344","","","0.077","0.0813","","","","","","1.035","","","","has coordinates","243299","2020-10-21","18:00:00",""
"4133543","6.608","0.0003","9.8783","0.0004","38.8492","0.0014","90","","90","","90","","2535.91","0.18","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 Si -","- C25 H38 O6 Si -","- C100 H152 O24 Si4 -","4","1","","Economou, Christos; Tomanik, Martin; Herzon, Seth B.","Synthesis of Myrocin G, the Putative Active Form of the Myrocin Antitumor Antibiotics.","Journal of the American Chemical Society","2018","140","47","16058","16061","10.1021/jacs.8b10891","","","1.54184","CuKα","","0.0629","0.0499","","","0.1041","0.1108","","","","","","1.088","","","","has coordinates","243300","2020-10-21","18:00:00",""
"4133544","9.67683","0.00019","11.05812","0.00017","20.5604","0.0005","90","","90","","90","","2200.12","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0573","0.0461","","","0.1144","0.1223","","","","","","1.082","","","","has coordinates","243301","2020-10-21","18:00:00",""
"4133545","6.45","0.00012","10.41727","0.00014","14.8501","0.0002","90","","99.2411","0.0017","90","","984.85","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0294","0.0278","","","0.0742","0.0755","","","","","","1.055","","","","has coordinates","243302","2020-10-21","18:00:00",""
"4133546","11.49513","0.00016","7.96423","0.0001","10.68229","0.00019","90","","109.079","0.0017","90","","924.24","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0376","0.0355","","","0.0928","0.095","","","","","","1.063","","","","has coordinates","243303","2020-10-21","18:00:00",""
"4133553","22.7496","0.0003","22.7496","0.0003","22.7496","0.0003","90","","90","","90","","11773.9","0.3","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","ZrTpmC*-CuI Metal-Organic Framework","- C206.85 Cu4.8 I4.8 N48 O157.62 Zr18 -","- C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 -","- C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 -","1","0.0208333","","Sun, Chenyue; Skorupskii, Grigorii; Dou, Jin-Hu; Wright, Ashley M.; Dincă, Mircea","Reversible Metalation and Catalysis with a Scorpionate-like Metallo-ligand in a Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","50","17394","17398","10.1021/jacs.8b11085","","x-ray","0.412747","synchrotron","","","","","","","","","","3.385","","","","","","","has coordinates","243310","2020-10-21","18:00:00",""
"4133554","7.7628","0.0004","9.63","0.0004","16.0084","0.0006","84.37","0.003","88.502","0.004","70.429","0.004","1122.11","0.09","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C56 H66 N2 O6 -","2","1","","Okamoto, Yuta; Tanioka, Masaru; Muranaka, Atsuya; Miyamoto, Kazunori; Aoyama, Tetsuya; Ouyang, Xingmei; Kamino, Shinichiro; Sawada, Daisuke; Uchiyama, Masanobu","Stable Thiele's Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism.","Journal of the American Chemical Society","2018","140","51","17857","17861","10.1021/jacs.8b11092","","x-ray","1.54184","CuKα","","0.0888","0.075","","","0.1959","0.2082","","","","","","1.039","","","","has coordinates","243311","2020-10-21","18:00:00",""
"4133555","7.7432","0.0003","9.6665","0.0004","16.3637","0.0009","84.384","0.004","76.739","0.004","71.034","0.004","1127.08","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 O4 -","- C58 H66 N2 O4 -","- C58 H66 N2 O4 -","1","0.5","","Okamoto, Yuta; Tanioka, Masaru; Muranaka, Atsuya; Miyamoto, Kazunori; Aoyama, Tetsuya; Ouyang, Xingmei; Kamino, Shinichiro; Sawada, Daisuke; Uchiyama, Masanobu","Stable Thiele's Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism.","Journal of the American Chemical Society","2018","140","51","17857","17861","10.1021/jacs.8b11092","","","1.54184","CuKα","","0.0757","0.0655","","","0.1701","0.1792","","","","","","1.044","","","","has coordinates,has disorder","243312","2020-10-21","18:00:00",""
"4133556","10.729","0.002","20.345","0.004","16.436","0.003","90","","90.71","0.03","90","","3587.4","1.2","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H45 Li N8 Si0.97 -","- C36 H45 Li N8 Si0.9685 -","- C144 H180 Li4 N32 Si3.874 -","4","2","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1132","0.0543","","","0.0968","0.1157","","","","","","1.006","","","","has coordinates,has disorder","243313","2020-10-21","18:00:00",""
"4133557","9.009","0.0018","13.671","0.003","11.931","0.002","90","","108.59","0.03","90","","1392.8","0.5","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl2 K N4 Si -","- C29 H34 Cl2 K N4 Si -","- C58 H68 Cl4 K2 N8 Si2 -","2","1","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1427","0.065","","","0.1177","0.1454","","","","","","1.015","","","","has coordinates","243314","2020-10-21","18:00:00",""
"4133558","5.9083","0.0009","13.523","0.002","21.616","0.003","90","","90","","90","","1727.1","0.4","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O P -","- C20 H25 O P -","- C80 H100 O4 P4 -","4","1","","Nie, Shao-Zhen; Davison, Ryan T.; Dong, Vy M.","Enantioselective Coupling of Dienes and Phosphine Oxides.","Journal of the American Chemical Society","2018","140","48","16450","16454","10.1021/jacs.8b11150","","","0.71073","MoKα","","0.0253","0.0246","","","0.0671","0.0678","","","","","","1.034","","","","has coordinates","243315","2020-10-21","18:00:00",""
"4133559","32.5147","0.0006","32.5147","0.0006","37.7674","0.0008","90","","90","","90","","39927.9","1.3","150","0.1","150","0.1","","","","","","","","8","I 4 2 2","I 4 2","97","","","","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C1017.6 H635.52 B32 F128 Fe16 N240 O15.36 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.0883","0.0624","","","0.1669","0.1808","","","","","","0.88","","","","has coordinates","243316","2020-10-21","18:00:00",""
"4133560","32.3616","0.0012","32.3616","0.0012","37.4948","0.0019","90","","90","","90","","39267","3","150","0.1","150","0.1","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C976 H606.4 Fe16 N240 O11.2 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.1755","0.1029","","","0.2742","0.3318","","","","","","0.932","","","","has coordinates","243317","2020-10-21","18:00:00",""
"4133561","12.3928","0.0006","15.6251","0.0007","18.2747","0.0009","82.203","0.004","81.506","0.004","76.519","0.004","3384.5","0.3","127.6","","127.6","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H139 Br20 I N2 O20 -","- C126 H139 Br20 I N2 O20 -","- C126 H139 Br20 I N2 O20 -","1","0.5","","Hua, Bin; Zhou, Wei; Yang, Zhaoliang; Zhang, Zhihua; Shao, Li; Zhu, Haiming; Huang, Feihe","Supramolecular Solid-State Microlaser Constructed from Pillar[5]arene-Based Host-Guest Complex Microcrystals.","Journal of the American Chemical Society","2018","140","46","15651","15654","10.1021/jacs.8b11156","","","0.71073","MoKα","","0.1271","0.0757","","","0.1686","0.2031","","","","","","1.035","","","","has coordinates,has disorder","243318","2020-10-21","18:00:00",""
"4133562","29.325","0.003","18.3887","0.0007","37.359","0.003","90","","111.838","0.01","90","","18700","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C192 H132 F20 N8 -","- C192 H132 F20 N8 -","- C768 H528 F80 N32 -","4","1","","Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Three-Dimensional Fully Conjugated Carbaporphyrin Cage.","Journal of the American Chemical Society","2018","140","48","16455","16459","10.1021/jacs.8b11158","","","1.54184","CuKα","","0.1795","0.0919","","","0.2145","0.2898","","","","","","0.946","","","","has coordinates","243319","2020-10-21","18:00:00",""
"4133563","40.02","0.001","14.0404","0.0003","43.5179","0.0009","90","","111.986","0.003","90","","22674.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C208 H136 F44 N8 O16 -","- C208 H136 F44 N8 O16 -","- C832 H544 F176 N32 O64 -","4","1","","Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Three-Dimensional Fully Conjugated Carbaporphyrin Cage.","Journal of the American Chemical Society","2018","140","48","16455","16459","10.1021/jacs.8b11158","","","1.54184","CuKα","","0.1301","0.1032","","","0.2978","0.3306","","","","","","1.033","","","","has coordinates,has disorder","243320","2020-10-21","18:00:00",""
"4133564","16.199","0.004","13.062","0.003","23.636","0.006","90","","96.243","0.007","90","","4972","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 N3 P2 Zr -","- C49 H75 N3 P2 Zr -","- C196 H300 N12 P8 Zr4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0634","0.0477","","","0.1294","0.1415","","","","","","1.081","","","","has coordinates,has disorder","243321","2020-10-21","18:00:00",""
"4133565","17.0256","0.0008","15.8891","0.0007","32.2683","0.0015","90","","90","","90","","8729.3","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H62 N8 P2 Zr -","- C44 H62 N8 P2 Zr -","- C352 H496 N64 P16 Zr8 -","8","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.1009","0.0556","","","0.0985","0.1143","","","","","","1.062","","","","has coordinates,has disorder","243322","2020-10-21","18:00:00",""
"4133566","14.569","0.002","14.569","0.002","27.444","0.004","90","","90","","90","","5825.1","1.4","100","2","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C248 H344 Li4 N12 O4 P8 Zr4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0315","0.028","","","0.0643","0.0659","","","","","","1.066","","","","has coordinates,has disorder","243323","2020-10-21","18:00:00",""
"4133571","12.85953","0.00027","8.3632","0.00015","14.53708","0.00024","90","","71.2596","0.0088","90","","1480.53","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K2Rubrene","","- C42 H28 K2 -","- C42 H28 K2 -","- C84 H56 K4 -","2","0.5","","Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.","Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.","Journal of the American Chemical Society","2018","140","51","18162","18172","10.1021/jacs.8b11231","powder diffraction","x-ray","0.825865","","","","","","","","","","","4.84","","","","","","","has coordinates","243328","2020-10-21","18:00:00",""
"4133572","13.0398","0.0004","11.6254","0.0003","18.7191","0.0006","90","","108.991","0.004","90","","2683.23","0.15","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26.16 -","- C42 H26.16 -","- C168 H104.64 -","4","1","","Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.","Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.","Journal of the American Chemical Society","2018","140","51","18162","18172","10.1021/jacs.8b11231","","x-ray","0.71073","MoKα","","0.081","0.0558","","","0.1265","0.1394","","","","","","1.042","","","","has coordinates,has disorder","243329","2020-10-21","18:00:00",""
"4133574","16.2359","0.0003","16.4096","0.0003","17.4876","0.0003","90","","111.339","0.002","90","","4339.71","0.15","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H73 Fe N P2 Si -","- C42 H73 Fe N P2 Si -","- C168 H292 Fe4 N4 P8 Si4 -","4","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","0.71073","MoKα","","0.0969","0.0541","","","0.1044","0.1186","","","","","","1.022","","","","has coordinates","243331","2020-10-21","18:00:00",""
"4133575","23.62428","0.00011","23.62428","0.00011","15.31409","0.00013","90","","90","","90","","8546.89","0.09","120","1","120","1","","","","","","","","5","I -4","I -4","82","","","","- C45 H69 Fe N P2 -","- C45 H69 Fe N P2 -","- C360 H552 Fe8 N8 P16 -","8","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0419","0.0395","","","0.1095","0.1119","","","","","","1.069","","","","has coordinates,has disorder","243331","2020-10-21","18:00:00",""
"4133576","25.6211","0.0003","13.0431","0.0002","47.8048","0.0007","90","","102.544","0.0013","90","","15594","0.4","120","1","120","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39.25 H66 Fe N P2 -","- C38 H63 Fe N P2 -","- C608 H1008 Fe16 N16 P32 -","16","4","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0734","0.0522","","","0.1121","0.1203","","","","","","1.019","","","","has coordinates","243331","2020-10-21","18:00:00",""
"4133577","15.8118","0.0009","14.5805","0.0008","17.8689","0.001","90","","97.245","0.004","90","","4086.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H112 B2 Co2 N4 S2 -","- C104 H112 B2 Co2 N4 S2 -","- C208 H224 B4 Co4 N8 S4 -","2","0.5","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1268","0.1008","","","0.1696","0.185","","","","","","1.402","","","","has coordinates","243332","2020-10-21","18:00:00",""
"4133578","10.3742","0.0003","20.3276","0.0005","14.6088","0.0004","90","","105.28","0.001","90","","2971.84","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 B2 Cl6 N4 S2 -","- C66 H54 B2 Cl6 N4 S2 -","- C132 H108 B4 Cl12 N8 S4 -","2","0.5","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.0604","0.0545","","","0.1519","0.1577","","","","","","1.075","","","","has coordinates,has disorder","243333","2020-10-21","18:00:00",""
"4133579","23.9213","0.0009","17.921","0.0007","32.1974","0.0013","90","","90","","90","","13802.8","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C566 H540 B16 Cl76 N32 S16 Sb8 -","8","1","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1131","0.0921","","","0.1843","0.196","","","","","","1.09","","","","has coordinates,has disorder","243334","2020-10-21","18:00:00",""
"4133580","17.6886","0.0003","14.3121","0.0002","19.8456","0.0002","90","","90","","90","","5024.13","0.12","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C50 H66 N4 Ni Si2 -","- C50 H66 N4 Ni Si2 -","- C200 H264 N16 Ni4 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.065","0.0513","","","0.1229","0.1347","","","","","","1.033","","","","has coordinates,has disorder","243335","2020-10-21","18:00:00",""
"4133581","14.768","0.0005","10.4696","0.0004","25.1558","0.0008","90","","98.675","0.003","90","","3845","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N4 O2 Si2 -","- C42 H54 N4 O2 Si2 -","- C168 H216 N16 O8 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.0755","0.0471","","","0.1088","0.1244","","","","","","1.004","","","","has coordinates","243336","2020-10-21","18:00:00",""
"4133582","12.6253","0.0004","12.9455","0.0005","16.4249","0.0005","83.107","0.003","84.228","0.003","66.911","0.003","2447.4","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 N4 O Si2 -","- C55 H64 N4 O Si2 -","- C110 H128 N8 O2 Si4 -","2","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.0454","0.0374","","","0.096","0.1021","","","","","","1.03","","","","has coordinates","243337","2020-10-21","18:00:00",""
"4133583","14.12662","0.00014","10.49281","0.00011","25.5869","0.0003","90","","94.5089","0.0009","90","","3780.96","0.07","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N4 Si2 -","- C42 H54 N4 Si2 -","- C168 H216 N16 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.037","0.0351","","","0.0985","0.1005","","","","","","1.085","","","","has coordinates","243338","2020-10-21","18:00:00",""
"4133584","9.1557","0.0014","35.74","0.004","12.4628","0.0019","90","","96.968","0.013","90","","4048","1","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 Si2 -","- C44 H58 N4 Si2 -","- C176 H232 N16 Si8 -","4","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.2076","0.0884","","","0.175","0.2483","","","","","","0.966","","","","has coordinates","243339","2020-10-21","18:00:00",""
"4133585","10.5082","0.0006","13.0458","0.0008","19.448","0.001","76.133","0.005","88.079","0.004","67.359","0.006","2383.8","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N4 Si2 -","- C56 H64 N4 Si2 -","- C112 H128 N8 Si4 -","2","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.1073","0.0621","","","0.1371","0.167","","","","","","1.01","","","","has coordinates","243340","2020-10-21","18:00:00",""
"4133594","35.0494","0.0009","35.0494","0.0009","35.0494","0.0009","90","","90","","90","","43056.8","1.9","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2.13 H0.5 O2.71 Zr0.5 -","- C2.132 H0.5 O2.70558 Zr0.5 -","- C409.344 H96 O519.472 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","","0.8856","synchrotron","","0.0937","0.0643","","","0.1971","0.2204","","","","","","1.109","","","","has coordinates,has disorder","243349","2020-10-21","18:00:00",""
"4133595","35.0221","0.0015","35.0221","0.0015","35.0221","0.0015","90","","90","","90","","42956","3","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C1.9 H0.55 O2.77 Zr0.5 -","- C1.9 H0.5 O2.77223 Zr0.5 -","- C364.8 H96 O532.269 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","x-ray","0.9538","synchrotron","","0.065","0.057","","","0.2085","0.2224","","","","","","1.158","","","","has coordinates,has disorder","243350","2020-10-21","18:00:00",""
"4133596","35.0104","0.0014","35.0104","0.0014","35.0104","0.0014","90","","90","","90","","42913","3","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C1.74 H0.5 O2.83 Zr0.5 -","- C1.74165 H0.5 O2.83332 Zr0.5 -","- C334.397 H96 O543.998 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","","0.9537","synchrotron","","0.0606","0.0533","","","0.1729","0.1813","","","","","","1.134","","","","has coordinates,has disorder","243351","2020-10-21","18:00:00",""
"4133601","13.14495","0.00015","13.47863","0.00012","22.0101","0.0002","76.341","0.0008","78.4708","0.0009","62.6282","0.001","3346.23","0.07","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C64 H65 B F24 Ir N3 O P2 -","- C64 H65 B F24 Ir N3 O P2 -","- C128 H130 B2 F48 Ir2 N6 O2 P4 -","2","2","","Salomó, Ernest; Gallen, Albert; Sciortino, Giuseppe; Ujaque, Gregori; Grabulosa, Arnald; Lledós, Agustí; Riera, Antoni; Verdaguer, Xavier","Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst.","Journal of the American Chemical Society","2018","140","49","16967","16970","10.1021/jacs.8b11547","","","0.71075","MoKα","","0.0741","0.054","","","0.165","0.1878","","","","","","1.092","","","","has coordinates,has disorder","243357","2020-10-21","18:00:00",""
"4133609","9.1811","0.0008","12.1939","0.001","16.6464","0.0014","87.574","0.004","77.784","0.003","86.681","0.003","1817.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H35 Cl F3 Fe O8 P3 Pt S -","- C33 H35 Cl F3 Fe O8 P3 Pt S -","- C66 H70 Cl2 F6 Fe2 O16 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0489","0.0339","","","0.0591","0.0627","","","","","","1.02","","","","has coordinates","243359","2020-10-21","18:00:00",""
"4133610","12.02","0.004","14.966","0.004","21.674","0.007","74.877","0.011","79.712","0.018","89.614","0.012","3700","2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C148 H140 Cl4 F12 Fe4 O16 P12 Pt4 S4 -","4","2","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0448","0.0262","","","0.0493","0.0531","","","","","","1.007","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133611","10.9388","0.0019","12.077","0.003","15.114","0.005","88.291","0.007","74.307","0.011","79.727","0.009","1891.1","0.9","221","","221","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C74 H70 Cl2 F6 Fe2 O8 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0735","0.0421","","","0.0693","0.0766","","","","","","1.029","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133612","10.966","0.003","12.151","0.004","15.127","0.006","88.301","0.008","74.446","0.012","79.668","0.012","1910","1.1","293","","293","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C74 H70 Cl2 F6 Fe2 O8 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.1019","0.0487","","","0.0712","0.0816","","","","","","1.029","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133613","10.6888","0.0012","11.6609","0.0014","14.5386","0.0017","93.888","0.004","102.803","0.004","97.548","0.004","1742.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H35 B Cl F4 Fe O P3 Pt -","- C36 H35 B Cl F4 Fe O P3 Pt -","- C72 H70 B2 Cl2 F8 Fe2 O2 P6 Pt2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0285","0.0222","","","0.051","0.0592","","","","","","1.181","","","","has coordinates","243361","2020-10-21","18:00:00",""
"4133614","18.7227","0.0002","16.83446","0.00017","11.12873","0.00014","90","","94.7276","0.0011","90","","3495.69","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H57 F4 Ni P -","- C35 H51 F4 Ni P -","- C140 H204 F16 Ni4 P4 -","4","1","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Selective Catalytic Formation of Cross-Tetramers from Tetrafluoroethylene, Ethylene, Alkynes, and Aldehydes via Nickelacycles as Key Reaction Intermediates.","Journal of the American Chemical Society","2018","140","50","17423","17427","10.1021/jacs.8b11671","","x-ray","1.54184","CuKα","","0.0353","0.0324","","","0.0857","0.088","","","","","","1.063","","","","has coordinates","243362","2020-10-21","18:00:00",""
"4133631","9.4406","0.0002","11.4272","0.0003","20.2122","0.0005","90","","97.538","0.002","90","","2161.64","0.09","100","2","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.0424","0.0373","","","0.0935","0.0969","","","","","","1.036","","","","has coordinates","243370","2020-10-21","18:00:00",""
"4133632","14.588","0.002","5.3289","0.0008","23.934","0.004","90","","99.081","0.004","90","","1837.3","0.5","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","0.71073","MoKα","","0.0594","0.044","","","0.0988","0.1059","","","","","","1.02","","","","has coordinates","243371","2020-10-21","18:00:00",""
"4133633","9.4479","0.0006","15.9921","0.0011","30.118","0.002","90","","97.482","0.006","90","","4511.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C208 H232 N8 O32 -","8","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.1044","0.0711","","","0.1761","0.1947","","","","","","1.082","","","","has coordinates","243372","2020-10-21","18:00:00",""
"4133650","6.84","0.03","7.717","0.019","18.32","0.04","81.71","0.09","85.48","0.1","72.46","0.07","912","5","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F N O3 Si -","- C19 H20 F N O3 Si -","- C38 H40 F2 N2 O6 Si2 -","2","1","","Li, Ting; Zhang, Liming","Bifunctional Biphenyl-2-ylphosphine Ligand Enables Tandem Gold-Catalyzed Propargylation of Aldehyde and Unexpected Cycloisomerization.","Journal of the American Chemical Society","2018","140","50","17439","17443","10.1021/jacs.8b12478","","","0.71073","MoKα","","0.1109","0.0745","","","0.2064","0.2328","","","","","","1.044","","","","has coordinates","243387","2020-10-21","18:00:00",""
"4135643","10.8289","0.0002","10.8289","0.0002","10.8289","0.0002","90","","90","","90","","1269.85","0.04","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 S32 Sn6 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","1","0.0416667","","Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.","'High-performance thermoelectric bulk colusite by process controlled structural disordering'","Journal of the American Chemical Society","2018","140","6","2186","2195","10.1021/jacs.7b11224","powder diffraction","","1.28942","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4082","","","","","","","","has coordinates","280894","2023-02-14","15:53:00",""
"4135644","10.77006","0.00018","10.77006","0.00018","10.77006","0.00018","90","","90","","90","","1249.26","0.04","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 S32 Sn6 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","1","0.0416667","","Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.","'High-performance thermoelectric bulk colusite by process controlled structural disordering'","Journal of the American Chemical Society","2018","140","6","2186","2195","10.1021/jacs.7b11224","powder diffraction","","1.2885","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6458","","","","","","","","has coordinates","280895","2023-02-14","15:53:44",""