# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:46:19+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 = 136 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
"1516253","4.789","0.005","12.683","0.014","16.599","0.016","90","","71.26","0.03","90","","954.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-II","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1174","0.0838","","","0.193","0.2044","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516254","17.301","0.003","4.0582","0.0007","26.249","0.004","90","","92.074","0.004","90","","1841.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FBPMe-alpha","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C48 H24 F8 N24 S32 -","8","2","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0692","0.0526","","","0.0993","0.1076","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516255","4.6011","0.0007","12.7317","0.0019","15.9122","0.0019","90","","78.949","0.004","90","","914.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-beta","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0774","0.0486","","","0.0758","0.0892","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516256","4.12168","0.00024","13.2722","0.0011","14.8586","0.001","90","","84.318","0.005","90","","808.83","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.17464","","0.54","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516257","4.789","0.005","12.683","0.014","16.281","0.016","90","","74.89","0.03","90","","954.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-I","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1175","0.0838","","","0.1932","0.2046","","","","","","1.286","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516258","3.86543","0.00033","13.4994","0.0021","14.4694","0.0012","90","","86.261","0.007","90","","753.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.36353","","0.46","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"4120430","11.5083","0.0004","11.7852","0.0004","16.1123","0.0006","90","","90","","90","","2185.27","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H33 F3 N4 Ni O5 S -","- C16 H33 F3 N4 Ni O5 S -","- C64 H132 F12 N16 Ni4 O20 S4 -","4","1","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.0481","0.0391","","","0.066","0.0668","","","","","","1.747","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120431","17.2639","0.0006","18.5917","0.0006","20.0435","0.0006","90","","90","","90","","6433.3","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H41 F12 N8 Ni P2 -","- C24 H41 F12 N8 Ni P2 -","- C192 H328 F96 N64 Ni8 P16 -","8","2","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.1267","0.0839","","","0.1715","0.194","","","","","","1.04","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120432","21.381","0.009","7.616","0.004","15.488","0.007","90","","126.334","0.012","90","","2031.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H19 Cl Cu N7 O6 -","- C15 H19 Cl Cu N7 O6 -","- C60 H76 Cl4 Cu4 N28 O24 -","4","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.102","0.0641","","","0.1623","0.1884","","","","","","1.109","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120433","21.5868","0.001","7.3214","0.0003","18.2301","0.001","90","","116.799","0.003","90","","2571.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H52 Cl2 Cu2 N16 O13 -","- C36 H52 Cl2 Cu2 N16 O13 -","- C72 H104 Cl4 Cu4 N32 O26 -","2","0.25","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1354","0.113","","","0.3167","0.3414","","","","","","1.095","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120434","7.3259","0.0008","21.889","0.002","30.024","0.003","90","","90","","90","","4814.5","0.8","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H23 Cl Cu N7 O6 -","- C16 H23 Cl Cu N7 O6 -","- C128 H184 Cl8 Cu8 N56 O48 -","8","","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1384","0.1288","","","0.3591","0.3659","","","","","","1.182","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120435","21.088","0.012","7.861","0.005","15.11","0.009","90","","123.989","0.006","90","","2077","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H23 Cl Cu N7 O6 -","- C17 H23 Cl Cu N7 O6 -","- C68 H92 Cl4 Cu4 N28 O24 -","4","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1284","0.115","","","0.3289","0.338","","","","","","0.992","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120436","7.4576","0.0012","11.4553","0.0018","15.173","0.002","100.375","0.012","92.657","0.012","107.116","0.011","1211.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H51 Cl2 Cu2 N15 O11 -","- C39 H51 Cl2 Cu2 N15 O11 -","- C39 H51 Cl2 Cu2 N15 O11 -","1","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1625","0.0956","","","0.2426","0.291","","","","","","1.05","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120437","11.9083","0.0003","11.9083","0.0003","71.9218","0.0007","90","","90","","120","","8832.6","0.3","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-r-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0873","","","0.1505","0.1566","","","","","","1.002","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120438","11.8925","0.0008","11.8925","0.0008","71.857","0.004","90","","90","","120","","8801.3","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-s-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1032","0.0855","","","0.2677","0.2108","","","","","","1.044","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120439","11.8861","0.0007","11.8861","0.0007","71.796","0.008","90","","90","","120","","8784.4","1.2","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C36 H34 N20 O2 -","- C36 H34 N20 O2 -","- C216 H204 N120 O12 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0877","","","0.1918","0.1991","","","","","","1.002","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120440","7.127","0.005","7.543","0.005","12.014","0.005","83.495","0.005","88.783","0.005","67.724","0.005","593.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0301","0.0285","","","0.0776","0.0785","","","","","","1.091","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120441","8.035","0.0005","8.2606","0.0006","9.7665","0.0007","77.26","0.001","73.554","0.001","78.132","0.001","599.26","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0257","0.0253","","","0.076","0.0764","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120442","7.9345","0.0004","8.2352","0.0004","9.7232","0.0004","77.5","0.001","72.92","0.003","77.61","0.001","585.11","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.023","","","0.0671","0.0671","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120443","7.9548","0.0011","8.2408","0.0012","9.7333","0.0014","77.482","0.001","73.031","0.001","77.695","0.001","588.05","0.15","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.0229","","","0.0677","0.068","","","","","","0.994","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120444","7.9746","0.0011","8.2474","0.0011","9.7454","0.0013","77.428","0.001","73.156","0.001","77.796","0.001","591.15","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.0228","","","0.0622","0.0623","","","","","","1.049","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120445","7.9932","0.0009","8.2504","0.0009","9.749","0.0011","77.377","0.001","73.279","0.001","77.9","0.001","593.4","0.11","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0242","0.0237","","","0.0668","0.0673","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120446","8.0146","0.0009","8.2576","0.0009","9.7583","0.001","77.324","0.001","73.418","0.001","78.017","0.001","596.57","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0254","0.0248","","","0.0733","0.074","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120447","7.123","0.005","7.543","0.005","12.009","0.005","83.508","0.005","88.837","0.005","67.752","0.005","593.2","0.6","225","2","225","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0681","0.0547","","","0.1464","0.1555","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120448","14.232","0.003","16.803","0.003","14.491","0.003","90","","101.19","0.03","90","","3399.5","1.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H112 Cu8 -","- C64 H112 Cu8 -","- C128 H224 Cu16 -","2","0.5","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.1296","0.0491","","","0.0743","0.0819","","","","","","1.009","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120449","18.6062","0.0014","14.647","0.0009","18.656","0.0016","90","","108.433","0.009","90","","4823.4","0.7","180","2","180","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H80 Cu8 -","- C48 H80 Cu8 -","- C192 H320 Cu32 -","4","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.041","0.0274","","","0.0566","0.0618","","","","","","1.039","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120450","16.3819","0.0005","12.9444","0.0004","35.6961","0.0013","90","","101.894","0.004","90","","7407","0.4","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Cl4 Cu8 Li2 N4 -","- C60 H116 Cl4 Cu8 Li2 N4 -","- C240 H464 Cl16 Cu32 Li8 N16 -","4","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0848","0.0551","","","0.1203","0.1365","","","","","","1.058","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120451","12.371","0.003","17.06","0.003","28.421","0.006","95.05","0.03","99.79","0.03","98.53","0.03","5806","2","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H168 Cl4 Cu12 -","- C96 H168 Cl4 Cu12 -","- C192 H336 Cl8 Cu24 -","2","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0884","0.0543","","","0.1338","0.1507","","","","","","0.991","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120452","9.1034","0.0003","12.6088","0.0005","22.6274","0.0009","95.008","0.003","99.948","0.003","98.618","0.003","2512.17","0.17","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Cu3 I2 Li O3 -","- C44 H80 Cu3 I2 Li O3 -","- C88 H160 Cu6 I4 Li2 O6 -","2","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0617","0.049","","","0.1315","0.1451","","","","","","1.032","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120453","5.681","","43.239","","14.904","","90","","90.522","","90","","3660.88","","213.1","","213.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 N2 O8 S2 -","- C36 H48 N2 O7.98 S2 -","- C144 H192 N8 O31.92 S8 -","4","1","","Comotti, Angiolina; Bracco, Silvia; Yamamoto, Atsushi; Beretta, Mario; Hirukawa, Tomofumi; Tohnai, Norimitsu; Miyata, Mikiji; Sozzani, Piero","Engineering switchable rotors in molecular crystals with open porosity.","Journal of the American Chemical Society","2014","136","2","618","621","10.1021/ja411233p","","","1.54187","CuKα","","","0.1374","","","","0.3206","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120454","5.512","0.0009","43.593","0.005","14.5819","0.0019","90","","91.628","0.007","90","","3502.4","0.8","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O6 S2 -","- C32 H40 N2 O6 S2 -","- C128 H160 N8 O24 S8 -","4","1","","Comotti, Angiolina; Bracco, Silvia; Yamamoto, Atsushi; Beretta, Mario; Hirukawa, Tomofumi; Tohnai, Norimitsu; Miyata, Mikiji; Sozzani, Piero","Engineering switchable rotors in molecular crystals with open porosity.","Journal of the American Chemical Society","2014","136","2","618","621","10.1021/ja411233p","","","1.54187","CuKα","","","0.1658","","","","0.4645","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120455","25.6178","0.0013","19.6472","0.001","25.9073","0.0015","90","","105.802","0.002","90","","12546.8","1.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C145 H180 S4 Si2 -","- C145 H180 S4 Si2 -","- C580 H720 S16 Si8 -","4","1","","Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.","Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.","Journal of the American Chemical Society","2014","136","2","634","637","10.1021/ja411951y","","","1.54178","CuKα","","0.0463","0.043","","","0.1196","0.1225","","","","","","1.029","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120456","11.2065","0.0012","19.85","0.002","12.2681","0.0013","90","","110.793","0.0016","90","","2551.3","0.5","90","2","90","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C62 H66 S2 Si -","- C62 H66 S2 Si -","- C124 H132 S4 Si2 -","2","0.5","","Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.","Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.","Journal of the American Chemical Society","2014","136","2","634","637","10.1021/ja411951y","","","0.71073","MoKα","","0.0744","0.0702","","","0.1506","0.1527","","","","","","1.163","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120457","16.183","0.006","22.854","0.008","30.773","0.009","90","","118.013","0.014","90","","10048","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 As Cl N8 O6 S8 -","- C98 H86 As Cl N8 O6 S8 -","- C392 H344 As4 Cl4 N32 O24 S32 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.2623","0.0857","","","0.1892","0.2358","","","","","","0.646","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120458","17.407","0.004","37.264","0.008","29.795","0.006","90","","101.927","0.003","90","","18909","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C664 H440 Cl24 F24 N64 O16 P12 S64 -","8","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.2032","0.0879","","","0.2228","0.2526","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120459","15.5571","0.0017","17.2914","0.0019","28.018","0.003","90","","96.999","0.001","90","","7480.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H50 N8 Se8 -","- C80 H50 N8 Se8 -","- C320 H200 N32 Se32 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.0657","0.0429","","","0.0893","0.0949","","","","","","1.039","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120460","21.3517","0.0006","21.3517","0.0006","16.3004","0.0006","90","","90","","90","","7431.3","0.4","90","2","90","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C13 H12.25 N Te -","- C13 H12.25 N Te -","- C208 H196 N16 Te16 -","16","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","1.54178","CuKα","","0.0691","0.065","","","0.2054","0.2118","","","","","","1.048","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120461","39.099","0.005","11.4435","0.0014","27.428","0.006","90","","132.005","0.001","90","","9119","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H70 N8 S8 -","- C96 H82 N8 S8 -","- C384 H328 N32 S32 -","4","0.5","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.0685","0.0424","","","0.1079","0.1158","","","","","","1.078","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120462","26.58","0.04","10.488","0.017","32.51","0.05","90","","110.51","0.03","90","","8488","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H56 Cl3 N9 O S8 Zn -","- C84 H56 Cl3 N9 O S8 Zn -","- C336 H224 Cl12 N36 O4 S32 Zn4 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.1248","0.079","","","0.1997","0.2203","","","","","","0.996","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120463","6.801","","11.467","","6.882","","90","","94.28","","90","","535.21","","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O6 -","- C9 H13 N O6 -","- C18 H26 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.0373","0.0342","","","0.1042","0.1078","","","","","","0.866","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120464","6.4895","0.0004","12.4868","0.0012","10.0658","0.0009","90","","106.939","0.005","90","","780.28","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C26 H42 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.063","0.0481","","","0.1123","0.1196","","","","","","0.993","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120465","8.7207","0.0005","11.0415","0.0006","12.0957","0.0008","76.6178","0.0019","77.387","0.002","85.038","0.002","1104.93","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0743","0.0455","","","0.1257","0.161","","","","","","1.102","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120466","19.268","0.0014","9.7295","0.0006","13.1749","0.001","90","","110.476","0.002","90","","2313.8","0.3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H25 Cl N2 O2.5 -","- C27.5 H25 Cl N2 O2.5 -","- C110 H100 Cl4 N8 O10 -","4","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0636","0.0513","","","0.1175","0.1258","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120467","9.3625","0.001","15.5302","0.0016","19.15","0.002","106.249","0.008","100.111","0.007","103.789","0.007","2507","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H76 O3 Si8 -","- C38 H76 O3 Si8 -","- C76 H152 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0608","","","","0.1559","","","","","","1.137","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120468","9.645","0.008","14.612","0.011","34.8","0.03","90","","95.245","0.01","90","","4884","7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H78 O3 Si8 -","- C35 H78 O3 Si8 -","- C140 H312 O12 Si32 -","4","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0724","","","","0.2064","","","","","","1.072","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120469","9.8072","0.0014","15.361","0.002","18.474","0.003","112.146","0.008","95.528","0.007","98.94","0.007","2509.7","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H80 O3 Si8 -","- C36 H80 O3 Si8 -","- C72 H160 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0686","","","","0.1596","","","","","","1.109","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120470","16.947","0.005","23.441","0.007","26.008","0.008","90","","90","","90","","10332","5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H84 O3 Si8 -","- C39 H84 O3 Si8 -","- C312 H672 O24 Si64 -","8","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0763","","","","0.2277","","","","","","1.088","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120471","9.3553","0.0006","14.978","0.001","18.5074","0.0013","97.412","0.007","92.695","0.007","95.354","0.007","2555.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H84 O3 Si8 -","- C38 H84 O3 Si8 -","- C76 H168 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0488","","","","0.12","","","","","","1.049","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120472","9.0741","0.0013","15.281","0.002","21.098","0.004","83.64","0.03","87.08","0.04","74.09","0.02","2795.4","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H78 O3 Si8 -","- C35 H78 O3 Si8 -","- C70 H156 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0812","","","","0.256","","","","","","1.09","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120473","14.981","0.003","17.61","0.003","20.61","0.004","90","","107.525","0.008","90","","5184.9","1.7","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H78 O3 Si8 -","- C26 H50.6667 O2 Si5.33333 -","- C156 H304 O12 Si32 -","6","3","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.063","","","","0.1273","","","","","","1.01","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120474","12.453","0.008","6.088","0.003","19.577","0.015","90","","106.84","0.03","90","","1420.6","1.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl O2 -","- C17 H19 Cl O2 -","- C68 H76 Cl4 O8 -","4","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0572","","","","0.1576","","","","","","1.067","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120475","8.9854","0.001","12.5595","0.0013","15.9376","0.0017","90","","100.712","0.002","90","","1767.2","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 N4 W -","- C12 H30 N4 W -","- C48 H120 N16 W4 -","4","1","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0384","0.026","","","0.0656","0.0719","","","","","","1.058","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120476","15.2965","0.0008","17.931","0.001","20.879","0.0011","90","","90","","90","","5726.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 N4 W -","- C14 H34 N4 W -","- C168 H408 N48 W12 -","12","3","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0306","0.0214","","","0.0377","0.0393","","","","","","0.98","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120477","9.573","0.005","17.473","0.004","11.177","0.012","90","","105.99","0.05","90","","1797","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 F3 N2 Sn -","- C15 H25 F3 N2 Sn0.996 -","- C60 H100 F12 N8 Sn3.984 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.6199","synchrotron","","0.0377","0.0362","","","0.098","0.0993","","","","","","1.072","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120478","9.3477","0.0011","10.5608","0.0012","17.8086","0.0019","90","","90","","90","","1758.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 F3 Ge N2 -","- C15 H25 F3 Ge N2 -","- C60 H100 F12 Ge4 N8 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.71073","MoKα","","0.036","0.0281","","","0.0566","0.0587","","","","","","1.041","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120479","12.0364","0.0005","12.1697","0.0006","15.7969","0.0007","81.811","0.002","74.339","0.002","86.193","0.002","2204.35","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SGE6-192","hartwig20","","- C55 H47 Cl Ni O2 P2 -","- C55 H47 Cl Ni O2 P2 -","- C110 H94 Cl2 Ni2 O4 P4 -","2","1","","Ge, Shaozhong; Green, Rebecca A.; Hartwig, John F.","Controlling First-Row Catalysts: Amination of Aryl and Heteroaryl Chlorides and Bromides with Primary Aliphatic Amines Catalyzed by a BINAP-Ligated Single-Component Ni(0) Complex.","Journal of the American Chemical Society","2014","136","4","1617","1627","10.1021/ja411911s","","","1.54178","CuKα","","0.0718","0.0633","","","0.1855","0.1959","","","","","","1.042","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120480","24.075","0.002","24.075","0.002","10.7146","0.0012","90","","90","","120","","5378.2","0.9","100","2","100","","","","","","","","","4","P 3","P 3","143","","","","- C63.67 H79.33 Cl7.33 N12 -","- C60 H72 N12 -","- C180 H216 N36 -","3","1","","Hasell, Tom; Culshaw, Jamie L.; Chong, Samantha Y.; Schmidtmann, Marc; Little, Marc A.; Jelfs, Kim E.; Pyzer-Knapp, Edward O; Shepherd, Hilary; Adams, Dave J.; Day, Graeme M.; Cooper, Andrew I.","Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents.","Journal of the American Chemical Society","2014","136","4","1438","1448","10.1021/ja409594s","","x-ray","0.71073","MoKα","","0.0859","0.0598","","","0.1688","0.1882","","","","","","0.946","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120481","14.1424","0.0001","26.0428","0.0002","14.2684","0.0001","90","","107.754","0.001","90","","5004.88","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)]3[Ru@Ge12]*4py","","- C74 H128 Ge12 K3 N10 O18 Ru -","- C74 H128 Ge12 K3 N10 O18 Ru -","- C148 H256 Ge24 K6 N20 O36 Ru2 -","2","1","","Espinoza-Quintero, Gabriela; Duckworth, Jack C. A.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Synthesis and characterization of [ru@ge12](3-): an endohedral 3-connected cluster.","Journal of the American Chemical Society","2014","136","4","1210","1213","10.1021/ja411280v","","","1.5418","CuKα","","0.0615","0.0574","","","0.1552","0.1621","","","","","","1.022","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120482","11.005","0.0003","9.2447","0.0003","34.6234","0.0008","90","","90","","90","","3522.51","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N3 O5 Pt -","- C17 H25 N3 O5 Pt -","- C136 H200 N24 O40 Pt8 -","8","1","","Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Abellan Baeza, Patricia; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Andolina, Christopher; Millstone, Jill; Howell, Stephen B.; Browning, Nigel D.; Evans, James E.; Gianneschi, Nathan C.","Dynamics of soft nanomaterials captured by transmission electron microscopy in liquid water.","Journal of the American Chemical Society","2014","136","4","1162","1165","10.1021/ja408513m","","x-ray","1.54178","CuKα","K-L~3~","0.0946","0.0745","","","0.1651","0.1731","","","","","","1.269","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120483","13.7184","0.0005","19.4893","0.0007","14.7566","0.0005","90","","101.087","0.002","90","","3871.7","0.2","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Br2 Fe N O3 P2 -","- C37 H55 Br2 Fe N O3 P2 -","- C148 H220 Br8 Fe4 N4 O12 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","1.54178","CuKα","","0.0424","0.034","","","0.0847","0.0894","","","","","","1.026","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120484","11.0699","0.0003","14.9971","0.0005","15.9716","0.0005","88.297","0.0014","75.364","0.0016","68.451","0.0018","2380.32","0.13","147","1","147","1","","","","","","","","8","P -1","-P 1","2","","","","- C54 H59 B Br Fe N O2 P2 -","- C54 H59 B Br Fe N O2 P2 -","- C108 H118 B2 Br2 Fe2 N2 O4 P4 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.118","0.0627","","","0.1364","0.1614","","","","","","1.03","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120485","11.3747","0.0006","13.0802","0.0008","18.9709","0.0011","90","","101.385","0.001","90","","2767","0.3","150","1","150","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 B Br F4 Fe N O2 P2 -","- C24 H31 B Br F4 Fe N O2 P2 -","- C96 H124 B4 Br4 F16 Fe4 N4 O8 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.0665","0.0474","","","0.1199","0.1354","","","","","","1.19","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120486","16.5256","0.001","7.4552","0.0005","20.1351","0.0013","90","","105.486","0.004","90","","2390.6","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Fe N O2 P2 -","- C24 H33 Fe N O2 P2 -","- C96 H132 Fe4 N4 O8 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","1.54178","CuKα","","0.0362","0.0322","","","0.0808","0.0836","","","","","","1.043","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120487","15.2379","0.0007","17.9143","0.001","18.2681","0.0009","112.259","0.002","91.536","0.003","113.336","0.003","4144.8","0.4","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H78 Br6 Fe3 N2 O4 P4 -","- C60 H78 Br6 Fe3 N2 O4 P4 -","- C120 H156 Br12 Fe6 N4 O8 P8 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.1466","0.0911","","","0.2323","0.2551","","","","","","0.999","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120488","32.6975","0.0007","10.0081","0.0003","24.9344","0.0008","90","","114.622","0.002","90","","7417.6","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C320 H400 N48 O32 -","16","2","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.1219","0.0557","","","0.1056","0.126","","","","","","1.018","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120489","10.287","0.0013","11.15","0.001","13.04","0.0017","111.592","0.005","92.851","0.004","113.076","0.004","1246.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O2 -","- C26 H35 N3 O3 -","- C52 H70 N6 O6 -","2","1","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.1829","0.1123","","","0.1998","0.2212","","","","","","1.484","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120490","10.459","0.0002","14.643","0.0004","18.323","0.0005","103.891","0.002","106.045","0.002","107.136","0.001","2414.07","0.12","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 N6 O6 -","- C50 H66 N6 O6 -","- C100 H132 N12 O12 -","2","1","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.127","0.071","","","0.1239","0.134","","","","","","1.624","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120491","8.4268","0.0008","19.2101","0.0019","14.5611","0.0014","90","","90","","90","","2357.1","0.4","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B9 Cs3 O21 Zn6 -","- B9 Cs3 O21 Zn6 -","- B36 Cs12 O84 Zn24 -","4","0.5","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Hou, Xueling; Su, Xin; Jing, Qun; Poeppelmeier, Kenneth R.; Rondinelli, James M.","Cs3Zn6B9O21: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response.","Journal of the American Chemical Society","2014","136","4","1264","1267","10.1021/ja4117389","","","0.71073","MoKα","","0.0245","0.0214","","","0.0445","0.0457","","","","","","1.006","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120492","10.6188","0.0007","21.8666","0.0015","21.4263","0.0013","90","","95.593","0.002","90","","4951.4","0.6","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H72 Li4 N4 O4 -","- C52 H72 Li4 N4 O4 -","- C208 H288 Li16 N16 O16 -","4","2","","Bruneau, Angela M.; Liou, Lara; Collum, David B.","Solution structures of lithium amino alkoxides used in highly enantioselective 1,2-additions.","Journal of the American Chemical Society","2014","136","7","2885","2891","10.1021/ja412210d","","","0.71073","MoKα","","0.0491","0.0339","","","0.0738","0.081","","","","","","1.051","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120493","10.006","0.0006","12.42","0.0006","15.542","0.0012","90","","106.763","0.003","90","","1849.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl N O2 Rh -","- C19 H27 Cl N O2 Rh -","- C76 H108 Cl4 N4 O8 Rh4 -","4","1","","Neely, Jamie M.; Rovis, Tomislav","Rh(III)-Catalyzed Decarboxylative Coupling of Acrylic Acids with Unsaturated Oxime Esters: Carboxylic Acids Serve as Traceless Activators.","Journal of the American Chemical Society","2014","136","7","2735","2738","10.1021/ja412444d","","","0.71073","MoKα","","0.0282","0.0201","","","0.0439","0.0477","","","","","","1.056","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120494","10.152","0.002","7.7688","0.0017","38.639","0.008","90","","92.863","0.003","90","","3043.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O3 -","- C15.9999 H17.9997 N4 O2.99995 -","- C127.999 H143.998 N32 O23.9996 -","8","2","","Nath, Naba K.; Pejov, Ljupčo; Nichols, Shane M.; Hu, Chunhua; Saleh, Na'il; Kahr, Bart; Naumov, Panče","Model for photoinduced bending of slender molecular crystals.","Journal of the American Chemical Society","2014","136","7","2757","2766","10.1021/ja4101497","","","0.71073","MoKα","","0.1166","0.0706","","","0.1641","0.1756","","","","","","1.108","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120495","6.125","0.002","7.74","0.003","32.799","0.011","90","","90","","90","","1554.9","0.9","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,7-diphenyl-3,6-dihydropyrrolo[3,2-e]indole","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wei, Ye; Deb, Indubhusan; Yoshikai, Naohiko","Correction to palladium-catalyzed aerobic oxidative cyclization of N-aryl imines: indole synthesis from anilines and ketones.","Journal of the American Chemical Society","2014","136","7","2928","","10.1021/ja500182v","","","0.71073","MoKα","","0.1006","0.0646","","","0.1439","0.178","","","","","","1.021","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120496","25.9999","0.0009","42.8479","0.0014","18.1346","0.0013","90","","105.488","0.001","90","","19469.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 B20 Ir4 N4 O11 -","- C56 H84 B20 Ir4 N4 O11 -","- C448 H672 B160 Ir32 N32 O88 -","8","1","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.0896","0.061","","","0.1556","0.1699","","","","","","0.917","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120497","53.686","0.01","11.179","0.002","38.356","0.007","90","","97.244","0.004","90","","22836","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H59.6 B10 Cl1.8 Ir2 N O4.8 -","- C28.4 H48.8 B10 Cl1.8 Ir2 N0.4 O4.8 -","- C568 H976 B200 Cl36 Ir40 N8 O96 -","20","2.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","0.71073","MoKα","","0.1205","0.0979","","","0.2288","0.2404","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120498","9.0176","0.0006","26.3822","0.0013","17.607","0.001","90","","104.703","0.004","90","","4051.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 B20 Ir4 N4 O16 -","- C62 H84 B20 Ir4 N4 O16 -","- C124 H168 B40 Ir8 N8 O32 -","2","0.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.1562","0.1081","","","0.2692","0.3128","","","","","","1.197","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120499","8.3463","0.0002","28.2369","0.0006","10.1409","0.0002","90","","113.854","0.001","90","","2185.79","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B10 Ir N O3 -","- C15 H27 B10 Ir N O3 -","- C60 H108 B40 Ir4 N4 O12 -","4","1","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.0442","0.0385","","","0.0986","0.1096","","","","","","1.164","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120500","8.8822","0.0006","10.1868","0.0007","19.2787","0.0013","104.059","0.001","100.408","0.001","91.12","0.001","1660.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H102 B20 Ir2 N2 O10 -","- C50 H98 B20 Ir2 N2 O10 -","- C50 H98 B20 Ir2 N2 O10 -","1","0.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","0.71073","MoKα","","0.0563","0.0445","","","0.1336","0.1788","","","","","","1.226","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120501","12.7152","0.0003","17.1863","0.0003","17.3225","0.0004","89.9635","0.0017","81.5135","0.0019","81.8096","0.0018","3705","0.14","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H37 B2 F8 Fe N7 O S -","- C34 H37 B2.0005 F8.002 Fe N7 O S -","- C136 H148 B8.002 F32.008 Fe4 N28 O4 S4 -","4","2","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0552","0.0386","","","0.0995","0.1072","","","","","","1.056","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120502","10.1678","0.0003","11.9592","0.0003","15.8456","0.0003","92.0341","0.0018","96.166","0.002","108.703","0.002","1809.49","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","1","0.5","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0543","0.0475","","","0.1232","0.1271","","","","","","1.05","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120503","25.4707","0.0003","9.98637","0.00013","25.8674","0.0003","90","","94.8579","0.0012","90","","6555.99","0.14","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 B Cl F4 Fe N6 O S -","- C32 H34 B Cl F4 Fe N6 O S -","- C256 H272 B8 Cl8 F32 Fe8 N48 O8 S8 -","8","1","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0418","0.0317","","","0.0777","0.0817","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120504","13.211","0.0031","15.162","0.004","3.3733","0.0006","90","","90","","90","","675.7","0.3","","","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.30365","","2.57","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120505","12.8799","0.0024","14.888","0.004","3.2737","0.0005","90","","90","","90","","627.8","0.2","","","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.71681","","2.01","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120506","13.001","0.0021","14.9086","0.003","2.99495","0.00029","90","","90","","90","","580.5","0.16","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.28205","","2.07","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120507","13.0632","0.0024","14.9449","0.0033","3.02303","0.00028","90","","90","","90","","590.18","0.18","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","","","","","","","","","0.46085","","1.99","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120508","12.9187","0.0019","14.8422","0.0023","2.96191","0.00026","90","","90","","90","","567.92","0.13","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.38714","","1.83","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120509","26.4363","0.0022","29.5785","0.0031","3.67284","0.00016","90","","90","","90","","2872","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C96 H16 N32 O16 S64 -","16","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.21687","","1.4","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120510","10.9396","0.0002","25.0618","0.0005","11.5197","0.0002","90","","101.477","0.0007","90","","3095.16","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O3 -","- C34 H2 N2 O3 -","- C136 H8 N8 O12 -","4","1","","Aihara, Yoshinori; Chatani, Naoto","Nickel-Catalyzed Direct Arylation of C(sp(3))-H Bonds in Aliphatic Amides via Bidentate-Chelation Assistance.","Journal of the American Chemical Society","2014","136","3","898","901","10.1021/ja411715v","","","1.54187","CuKα","","","0.1038","","","","0.3605","","","","","","1.764","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120511","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","Total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2014","136","3","870","873","10.1021/ja411539w","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120512","12.5154","0.0008","15.322","0.001","20.9097","0.001","90","","92.849","0.003","90","","4004.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CP3HFeBr","","","- C43 H61 Br Fe P3 -","- C43 H61 Br Fe P3 -","- C172 H244 Br4 Fe4 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.188","0.0641","","","0.1145","0.1587","","","","","","0.963","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120513","10.8051","0.0003","15.4905","0.0005","20.738","0.0007","90","","90","","90","","3471.05","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CP3FeN2H","","","- C37 H55 Fe N2 P3 -","- C37 H55 Fe N2 P3 -","- C148 H220 Fe4 N8 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0306","0.0304","","","0.0776","0.0777","","","","","","1.059","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120514","19.4069","0.0005","19.4069","0.0005","47.9751","0.0017","90","","90","","120","","15648","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","CP3FeN2","","","- C37 H54 Fe N2 P3 -","- C37 H54 Fe N2 P3 -","- C666 H972 Fe18 N36 P54 -","18","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0655","0.0624","","","0.1624","0.1672","","","","","","1.106","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120515","10.9229","0.0004","26.9376","0.001","17.6054","0.0007","90","","94.663","0.002","90","","5163","0.3","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","[CP3FeN2][K(Et2O)3]","","","- C49 H84 Fe K N2 O3 P3 -","- C49 H84 Fe K N2 O3 P3 -","- C196 H336 Fe4 K4 N8 O12 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0755","0.0438","","","0.0843","0.0949","","","","","","1.008","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120516","19.7846","0.0011","25.88","0.0014","26.6463","0.0013","90","","90","","90","","13643.6","1.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[CP3HFeN2]BArF","","","- C69 H66 B Cl0.12 F24 Fe N1.77 P3 -","- C69 H67 B Cl0.114 F24 Fe N1.772 P3 -","- C552 H536 B8 Cl0.912 F192 Fe8 N14.176 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.1307","0.0832","","","0.2142","0.245","","","","","","1.021","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120517","39.338","0.002","12.186","0.0007","18.667","0.0011","90","","111.327","0.002","90","","8335.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CP3HFeI2","","","- C40.5 H59 Fe I2 P3 -","- C40.5 H59 Fe I2 P3 -","- C324 H472 Fe8 I16 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0397","0.0256","","","0.0462","0.0501","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120518","8.5123","0.0004","9.2231","0.0004","11.4204","0.0004","87.226","0.002","73.801","0.001","73.29","0.002","824.16","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H11 F6 N3 -","- C18 H11 F6 N3 -","- C36 H22 F12 N6 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0932","0.0538","","","0.1368","0.1603","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120519","13.2892","0.0012","18.1896","0.0017","18.2801","0.0017","90","","90","","90","","4418.8","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl N4 Rh -","- C24 H28 Cl N4 Rh -","- C192 H224 Cl8 N32 Rh8 -","8","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0759","0.0406","","","0.0913","0.1254","","","","","","1.177","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120520","11.3172","0.0004","11.5725","0.0004","13.2555","0.0005","93.226","0.002","106.108","0.002","118.872","0.002","1422.74","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 F12 N6 -","- C29 H18 F12 N6 -","- C58 H36 F24 N12 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.1333","0.0512","","","0.1157","0.1587","","","","","","1.027","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120521","9.0095","0.0003","10.2547","0.0003","11.5131","0.0004","92.175","0.002","110.319","0.002","102.609","0.002","965.9","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 F6 N3 -","- C21 H17 F6 N3 -","- C42 H34 F12 N6 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0893","0.0591","","","0.1799","0.2112","","","","","","1.056","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120522","12.439","0.002","10.0614","0.0017","14.778","0.002","90","","104.288","0.004","90","","1792.3","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O2 -","- C20 H18 N6 O2 -","- C80 H72 N24 O8 -","4","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.1122","0.0485","","","0.1117","0.1583","","","","","","0.863","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120523","12.1653","0.0009","10.6931","0.0008","25.5308","0.0019","90","","107.966","0.004","90","","3159.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nd367","","","- C32 H50 B Ga N2 O -","- C32 H50 B Ga N2 O -","- C128 H200 B4 Ga4 N8 O4 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0317","0.0255","","","0.0658","0.069","","","","","","1.029","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120524","19.5718","0.001","18.8267","0.0011","20.2279","0.001","90","","116.763","0.002","90","","6655","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H198 B4 Ga4 Li4 N8 -","- C134 H198 B4 Ga4 Li4 N8 -","- C268 H396 B8 Ga8 Li8 N16 -","2","0.5","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0741","0.042","","","0.0816","0.0878","","","","","","0.942","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120525","18.7239","0.0006","14.7354","0.0005","20.3319","0.0008","90","","90","","90","","5609.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","nd190","","","- C28 H42 B Ga N2 -","- C28 H42 B Ga N2 -","- C224 H336 B8 Ga8 N16 -","8","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0593","0.0475","","","0.099","0.1031","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120526","10.3966","0.0008","6.3555","0.0004","21.0408","0.0016","90","","97.168","0.002","90","","1379.42","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Correa, Arkaitz; León, Thierry; Martin, Ruben","Ni-Catalyzed Carboxylation of C(sp(2))- and C(sp(3))-O Bonds with CO2.","Journal of the American Chemical Society","2014","136","3","1062","1069","10.1021/ja410883p","","","0.71073","MoKα","","0.0706","0.0606","","","0.1747","0.1842","","","","","","1.074","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120527","16.422","0.002","12.2868","0.0016","35.081","0.005","90","","93.898","0.008","90","","7062.1","1.6","91","2","91","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H74.5 B4 F16 Fe2 N17 O0.5 -","- C59.5 H74.5 B4 F16 Fe2 N17 O0.5 -","- C238 H298 B16 F64 Fe8 N68 O2 -","4","0.5","","Kulmaczewski, Rafal; Olguín, Juan; Kitchen, Jonathan A.; Feltham, Humphrey L. C.; Jameson, Guy N. L.; Tallon, Jeffery L.; Brooker, Sally","Remarkable Scan Rate Dependence for a Highly Constrained Dinuclear Iron(II) Spin Crossover Complex with a Wide Thermal Hysteresis Loop.","Journal of the American Chemical Society","2014","136","3","878","881","10.1021/ja411563x","","","0.71073","MoKα","","0.1724","0.1128","","","0.2793","0.3093","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120528","3.9163","0.0008","3.8953","0.0007","10.311","0.003","90","","90.788","0.008","90","","157.28","0.06","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As2 Ca0.73 Fe Pr0.27 -","- As2 Ca0.73 Fe Pr0.2702 -","- As4 Ca1.46 Fe2 Pr0.5404 -","2","0.5","","Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi","A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2.","Journal of the American Chemical Society","2014","136","3","846","849","10.1021/ja410845b","","x-ray","0.71069","MoKα","","","0.116","","","0.157","","","","","6.15","6.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120529","34.7075","0.0009","11.0418","0.0003","15.8058","0.0004","90","","99.887","0.002","90","","5967.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Al Cl3 N4 -","- C30 H36 Al Cl3 N4 -","- C240 H288 Al8 Cl24 N32 -","8","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","0.71073","MoKα","","0.0917","0.0548","","","0.1379","0.1558","","","","","","1.055","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120530","19.9987","0.0004","10.2339","0.0002","24.9466","0.0005","90","","90","","90","","5105.69","0.18","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H69 B3 Cl4 N8 -","- C48 H69 B3 Cl4 N8 -","- C192 H276 B12 Cl16 N32 -","4","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120531","10.773","0.002","12.341","0.002","14.004","0.003","95.103","0.003","90.505","0.003","115.432","0.002","1672.5","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Mn N3 P2 -","- C39 H41 Mn N3 P2 -","- C78 H82 Mn2 N6 P4 -","2","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A highly active manganese precatalyst for the hydrosilylation of ketones and esters.","Journal of the American Chemical Society","2014","136","3","882","885","10.1021/ja4116346","","","0.71073","MoKα","","0.0641","0.0462","","","0.1163","0.1286","","","","","","1.014","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120532","16.954","0.0007","12.1473","0.0005","37.0711","0.0015","90","","100.276","0.001","90","","7512.2","0.5","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Cl2 Mn N3 O0.5 P2 -","- C41 H45 Cl2 Mn N3 O0.5 P2 -","- C328 H360 Cl16 Mn8 N24 O4 P16 -","8","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A highly active manganese precatalyst for the hydrosilylation of ketones and esters.","Journal of the American Chemical Society","2014","136","3","882","885","10.1021/ja4116346","","","0.71073","MoKα","","0.0581","0.0443","","","0.0939","0.1","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120533","10.8715","0.0007","10.844","0.0007","20.3372","0.0014","90","","97.983","0.001","90","","2374.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Ag5 F12 O11 -","- C11 H6 Ag5 F12 O11 -","- C44 H24 Ag20 F48 O44 -","4","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.0935","0.0761","","","0.1902","0.2052","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120534","15.1244","0.0018","22.255","0.003","26.642","0.003","102.224","0.002","97.582","0.002","108.848","0.002","8097.3","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H150 Ag48 F96 O93 S29 -","- C170 H144 Ag48 F96 O93 S29 -","- C170 H144 Ag48 F96 O93 S29 -","1","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.1715","0.1072","","","0.2622","0.3001","","","","","","1.086","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120535","58.133","0.004","11.8141","0.0009","39.378","0.003","90","","129.787","0.001","90","","20782","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Ag15 F30 O30 S10 -","- C60 H60 Ag15 F30 O30 S10 -","- C480 H480 Ag120 F240 O240 S80 -","8","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.1008","0.0803","","","0.2084","0.2266","","","","","","1.159","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120536","11.0932","0.0005","11.1066","0.0005","23.295","0.0011","84.295","0.002","89.308","0.002","78.559","0.002","2799.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 Cl O3 P2 Rh -","- C51 H48 Cl O3 P2 Rh -","- C102 H96 Cl2 O6 P4 Rh2 -","2","1","","Gellrich, Urs; Meißner, Antje; Steffani, Alberto; Kähny, Matthias; Drexler, Hans-Joachim; Heller, Detlef; Plattner, Dietmar A.; Breit, Bernhard","Mechanistic Investigations of the Rhodium Catalyzed Propargylic CH Activation.","Journal of the American Chemical Society","2014","136","3","1097","1104","10.1021/ja411204d","","","0.71073","MoKα","","0.0576","0.0416","","","0.092","0.0964","","","","","","1.043","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120537","8.0828","0.0004","8.9952","0.0006","21.181","0.0011","90","","90","","90","","1539.99","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Miura, Tomoya; Funakoshi, Yuuta; Murakami, Masahiro","Intramolecular Dearomatizing [3 + 2] Annulation of α-Imino Carbenoids with Aryl Rings Furnishing 3,4-Fused Indole Skeletons.","Journal of the American Chemical Society","2014","136","6","2272","2275","10.1021/ja412663a","","","0.71075","MoKα","","0.029","0.0284","","","0.0886","0.0902","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120538","20.686","0.002","7.1818","0.0008","21.924","0.003","90","","116.008","0.003","90","","2927.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Au2 Cl2 O2 P2 -","- C28 H34 Au2 Cl2 O2 P2 -","- C112 H136 Au8 Cl8 O8 P8 -","4","1","","Cano, Israel; Chapman, Andrew M.; Urakawa, Atsushi; van Leeuwen, Piet W. N. M.","Air-stable gold nanoparticles ligated by secondary phosphine oxides for the chemoselective hydrogenation of aldehydes: crucial role of the ligand.","Journal of the American Chemical Society","2014","136","6","2520","2528","10.1021/ja411202h","","","0.71073","MoKα","","0.1036","0.088","","","0.1912","0.197","","","","","","1.273","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120539","8.2211","0.0009","7.344","0.0008","25.041","0.003","90.015","0.004","94.66","0.003","90.01","0.004","1506.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C72 H76 O12 -","2","1","","Jin, Xu-Hui; Sheberla, Dennis; Shimon, Linda J. W.; Bendikov, Michael","Highly Coplanar Very Long Oligo(alkylfuran)s: A Conjugated System with Specific Head-To-Head Defect.","Journal of the American Chemical Society","2014","136","6","2592","2601","10.1021/ja411842g","","","0.71073","MoKα","","0.0886","0.0697","","","0.1969","0.2066","","","","","","1.073","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120540","7.1757","0.0017","8.249","0.002","28.018","0.007","90","","90","","90","","1658.5","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","Liu, Honglei; Wu, Yang; Zhao, Yan; Li, Zhen; Zhang, Lei; Yang, Wenjun; Jiang, Hui; Jing, Chengfeng; Yu, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Metal-catalyzed [6 + 3] cycloaddition of tropone with azomethine ylides: a practical access to piperidine-fused bicyclic heterocycles.","Journal of the American Chemical Society","2014","136","6","2625","2629","10.1021/ja4122268","","","0.71073","MoKα","","0.0399","0.0376","","","0.0811","0.0825","","","","","","1.082","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120541","9.3032","0.0003","12.789","0.0004","14.7995","0.0005","90","","89.401","0.003","90","","1760.73","0.1","150.1","0.2","150.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ba4","","","- C19 H19 Cu N3 O3 -","- C19 H19 Cu N3 O3 -","- C76 H76 Cu4 N12 O12 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","0.71073","MoKα","","0.0681","0.0472","","","0.0953","0.1031","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120542","9.7344","0.0017","16.996","0.002","12.836","0.003","90","","110.84","0.02","90","","1984.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[(L1)Cu(NHSO2Ph)]","","","- C20 H24 Cu N3 O3 S -","- C20 H24 Cu N3 O3 S -","- C80 H96 Cu4 N12 O12 S4 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","x-ray","0.71073","MoKα","","0.1193","0.084","","","0.1589","0.1759","","","","","","1.172","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120543","22.361","0.0013","11.0125","0.0006","13.8061","0.0007","90","","104.314","0.002","90","","3294.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HARTWIG36","hartwig36","","- C36 H28 Cu2 N6 O4 S2 -","- C36 H28 Cu2 N6 O4 S2 -","- C144 H112 Cu8 N24 O16 S8 -","4","0.5","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","0.71073","MoKα","","0.0286","0.0242","","","0.0582","0.0604","","","","","","1.09","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120544","10.7048","0.0009","10.895","0.0009","11.5387","0.001","80.925","0.003","68.386","0.002","64.219","0.002","1126.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BT1-282","hartwig24","","- C28 H16 Cu N4 O4 -","- C28 H16 Cu N4 O4 -","- C56 H32 Cu2 N8 O8 -","2","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","1.54178","CuKα","","0.0254","0.0251","","","0.0659","0.0661","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120545","27.741","0.002","29.059","0.003","38.382","0.003","90","","106.309","0.004","90","","29696","4","293","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C115 H103 Cl45 I2 N6 O16 -","- C115 H103 Cl45 I2 N6 O16 -","- C920 H824 Cl360 I16 N48 O128 -","8","2","","Pochorovski, Igor; Knehans, Tim; Nettels, Daniel; Müller, Astrid M; Schweizer, W. Bernd; Caflisch, Amedeo; Schuler, Benjamin; Diederich, François","Experimental and Computational Study of BODIPY Dye-Labeled Cavitand Dynamics.","Journal of the American Chemical Society","2014","136","6","2441","2449","10.1021/ja4104292","","","0.71073","MoKα","","0.328","0.2248","","","0.5452","0.5843","","","","","","3.173","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120546","13.769","0.005","18.431","0.012","16.014","0.006","90","","109.913","0.005","90","","3821","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 S6 -","- C84 H112 S6 -","- C168 H224 S12 -","2","0.5","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","0.71073","MoKα","","","0.0415","","","","0.0552","","","","","","0.87","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120547","13.536","0.003","13.731","0.003","13.837","0.003","117.032","0.002","106.648","0.002","95.35","0.002","2118.2","0.8","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H118 S6 -","- C90 H118 S6 -","- C90 H118 S6 -","1","0.5","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","0.71073","MoKα","","","0.0981","","","","0.3164","","","","","","1.019","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120548","14.5307","0.0013","16.0648","0.0014","26.561","0.002","99.03","0.007","90.771","0.006","107.277","0.008","5835.2","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C126 H168 S9 -","- C126 H168.01 S9 -","- C252 H336.02 S18 -","2","1","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","1.54187","CuKα","","","0.236","","","","0.5506","","","","","","1.591","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120549","8.9637","0.0004","23.4452","0.001","14.728","0.0006","90","","92.17","0.001","90","","3093","0.2","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok","Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.","Journal of the American Chemical Society","2014","136","6","2492","2502","10.1021/ja411072a","","","0.71073","MoKα","","0.0746","0.0409","","","0.073","0.1208","","","","","","1.163","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120550","24.728","0.004","10.6883","0.0016","28.583","0.004","90","","112.307","0.005","90","","6989.1","1.8","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl2 F6 N2 O4 Rh S Sb -","- C30 H36 Cl2 F6 N2 O4 Rh S Sb -","- C240 H288 Cl16 F48 N16 O32 Rh8 S8 Sb8 -","8","1","","Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok","Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.","Journal of the American Chemical Society","2014","136","6","2492","2502","10.1021/ja411072a","","","0.71073","MoKα","","0.087","0.0604","","","0.1804","0.2073","","","","","","1.019","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120551","9.48461","0.00003","13.47194","0.00006","5.773234","0.000018","90","","90","","90","","737.681","0.005","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Al Ba N5 O3 Si4 -","- Al Ba N5 O3 Si4 -","- Al4 Ba4 N20 O12 Si16 -","4","0.5","","Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun","Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).","Journal of the American Chemical Society","2014","136","6","2363","2373","10.1021/ja409865c","powder diffraction","","1.5472","Synchrotron","","","","","","","","","3.1036","2.0716","","","","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120552","9.47791","0.00004","13.45426","0.00005","5.7694","0.00002","90","","90","","90","","735.704","0.005","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Al2 Ba N4 O4 Si3 -","- Al2 Ba N4 O4 Si3 -","- Al8 Ba4 N16 O16 Si12 -","4","0.5","","Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun","Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).","Journal of the American Chemical Society","2014","136","6","2363","2373","10.1021/ja409865c","powder diffraction","","1.5472","Synchrotron","","","","","","","","","4.0537","2.0716","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120553","11.345","0.0011","5.1744","0.0005","17.219","0.0017","90","","91.318","0.002","90","","1010.55","0.17","15","2","15","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","0.41328","synchrotron","","0.046","0.0378","","","0.0864","0.0919","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120554","7.8864","0.0004","11.2704","0.0004","12.0597","0.0006","90","","90","","90","","1071.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","1.54178","CuKα","","0.0543","0.0455","","","0.1124","0.1183","","","","","","1.06","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120555","6.0761","0.0003","8.3926","0.0005","23.7433","0.0016","90","","90","","90","","1210.77","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H12 Br4 N2 Pb -","- C3 H12 Br4 N2 Pb -","- C12 H48 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","MoKα","","0.0517","0.0339","","","","0.0687","","","","","","1.036","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120556","8.3162","0.0004","8.3161","0.0003","20.1181","0.0009","90","","101.695","0.002","90","","1362.45","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PbBr4](NMPDA)","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C16 H56 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","","","0.0822","0.0755","","","0.1719","0.1748","","","","","","1.161","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120557","26.374","0.003","26.374","0.003","31.884","0.003","90","","90","","90","","22178","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C126 H156 F28 N44.56 O91.35 Pd6 -","- C126 H156 F28 N44.564 O91.348 Pd6 -","- C504 H624 F112 N178.256 O365.392 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1188","0.0774","","","0.226","0.2633","","","","","","1.028","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120558","26.059","0.002","26.059","0.002","31.879","0.003","90","","90","","90","","21648","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C124.8 H152.4 F8.4 N45.48 O85.02 Pd6 -","- C124.8 H152.4 F8.4 N45.484 O85.024 Pd6 -","- C499.2 H609.6 F33.6 N181.936 O340.096 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.087","0.0689","","","0.1922","0.2206","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120559","26.037","0.002","26.037","0.002","31.484","0.003","90","","90","","90","","21344","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C126.8 H144 F16.78 N45.92 O78.76 Pd6 -","- C126.8 H144 F16.776 N45.92 O78.76 Pd6 -","- C507.2 H576 F67.104 N183.68 O315.04 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.0866","0.0671","","","0.191","0.2163","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120560","24.284","0.003","24.306","0.003","24.636","0.003","115.99","0.001","90.625","0.002","119.371","0.001","10907","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H310.7 F56 N90.79 O173.83 Pd12 -","- C256 H310.7 F56 N90.786 O173.834 Pd12 -","- C256 H310.7 F56 N90.786 O173.834 Pd12 -","1","0.5","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1267","0.0789","","","0.2119","0.2437","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120561","25.941","0.005","25.941","0.005","31.667","0.006","90","","90","","90","","21310","7","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C268 H288 F40 N91.25 O168.2 Pd12 -","- C268 H288 F40 N91.256 O168.176 Pd12 -","- C536 H576 F80 N182.512 O336.352 Pd24 -","2","0.125","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1317","0.0826","","","0.226","0.2562","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120562","25.93","0.003","25.93","0.003","31.605","0.003","90","","90","","90","","21250","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C132 H146.72 F20 N48.09 O85.32 Pd6 -","- C132 H146.72 F20 N48.092 O85.324 Pd6 -","- C528 H586.88 F80 N192.368 O341.296 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.0925","0.066","","","0.1773","0.2036","","","","","","1.047","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120563","6.159","0.0003","9.1136","0.0005","25.9848","0.0013","90","","90","","90","","1458.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Gao, Fang; Carr, James L.; Hoveyda, Amir H.","A Broadly Applicable NHC-Cu-Catalyzed Approach for Efficient, Site-, and Enantioselective Coupling of Readily Accessible (Pinacolato)alkenylboron Compounds to Allylic Phosphates and Applications to Natural Product Synthesis.","Journal of the American Chemical Society","2014","136","5","2149","2161","10.1021/ja4126565","","","0.71073","MoKα","","0.0176","0.0168","","","0.0452","0.0455","","","","","","1.056","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120564","21.385","0.001","10.513","0.001","22.532","0.001","90","","107.59","0.02","90","","4828.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H74 Co2 F3 N2 O3 S -","- C51.5 H74 Co2 F3 N2 O3 S -","- C206 H296 Co8 F12 N8 O12 S4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0581","0.0441","","","0.0867","0.0911","","","","","","1.127","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120565","25.322","0.002","25.322","0.002","10.553","0.002","90","","90","","90","","6766.6","1.5","100","2","100","2","","","","","","","","7","P -4","P -4","81","","","","- C64 H102 Cl6 Co2 Li N3 O -","- C64 H102 Cl6 Co2 Li N3 O -","- C256 H408 Cl24 Co8 Li4 N12 O4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0462","0.033","","","0.0602","0.0643","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120566","12.818","0.001","14.301","0.001","15.849","0.001","90.11","0.02","99.65","0.02","108.68","0.02","2708.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl3 Co N O -","- C24 H40 Cl3 Co N O -","- C96 H160 Cl12 Co4 N4 O4 -","4","2","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.035","0.0282","","","0.0668","0.0713","","","","","","1.047","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120567","9.683","0.002","11.794","0.002","19.932","0.002","104.34","0.02","95.28","0.02","105.55","0.02","2093.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cl Co N2 -","- C47 H70 Cl Co N2 -","- C94 H140 Cl2 Co2 N4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0528","0.0392","","","0.0688","0.0736","","","","","","1.065","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120568","22.773","0.002","10.794","0.002","16.689","0.002","90","","90","","90","","4102.4","1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47 H70 Co2 N2 -","- C47 H70 Co2 N2 -","- C188 H280 Co8 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0273","0.0249","","","0.0551","0.056","","","","","","1.08","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120569","10.02","0.002","14.726","0.002","28.284","0.002","90","","90","","90","","4173.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Cl4 Co N2 -","- C40 H64 Cl4 Co N2 -","- C160 H256 Cl16 Co4 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0324","0.027","","","0.0581","0.0594","","","","","","1.03","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120570","12.87","0.0012","9.8433","0.0009","28.98","0.003","90","","90","","90","","3671.3","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl F3 N3 O3 Pt S -","- C14 H15 Cl F3 N3 O3 Pt S -","- C112 H120 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0284","0.0202","","","0.0398","0.0426","","","","","","1.116","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120571","22.1704","0.0019","12.2581","0.001","27.389","0.003","90","","110.716","0.001","90","","6962.2","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H28 F6 N8 O8 Pt S2 -","- C23.5 H28 F6 N8 O8 Pt S2 -","- C188 H224 F48 N64 O64 Pt8 S16 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0814","0.0619","","","0.1395","0.154","","","","","","1.265","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120572","11.8226","0.0007","4.9998","0.0003","23.0652","0.0013","90","","101.888","0.001","90","","1334.16","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N3 O3 Pt S -","- C6 H11 Cl F3 N3 O3 Pt S -","- C24 H44 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0155","0.0143","","","0.0365","0.0377","","","","","","1.158","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120573","24.6325","0.0009","11.4033","0.0004","19.3606","0.0007","90","","92.399","0.001","90","","5433.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 F6 N8 O7 Pt S2 -","- C13 H18 F6 N8 O7 Pt S2 -","- C104 H144 F48 N64 O56 Pt8 S16 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0279","0.0216","","","0.0456","0.0472","","","","","","1.042","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120574","5.4655","0.0003","6.9612","0.0004","7.6303","0.0005","79.842","0.0009","84.579","0.001","89.123","0.0009","284.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 Pt -","- C10 H10 Cl2 N2 Pt -","- C10 H10 Cl2 N2 Pt -","1","0.5","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0128","0.0128","","","0.0301","0.0301","","","","","","1.047","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120575","16.7722","0.0002","20.9797","0.0006","23.1866","0.0003","89.038","0.004","72.648","0.003","81.321","0.005","7694.9","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","1","1","","Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of One-Dimensional Metal-Containing Insulated Molecular Wire with Versatile Properties Directed toward Molecular Electronics Materials.","Journal of the American Chemical Society","2014","136","5","1742","1745","10.1021/ja411665k","","","0.7107","MoKα","","","0.0612","","","","0.1765","","","","","","1.048","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120576","9.9374","0.0009","10.7588","0.001","11.9358","0.0011","90","","109.122","0.002","90","","1205.7","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","","Zhu, Haitao; Chen, Pinhong; Liu, Guosheng","Pd-catalyzed intramolecular aminohydroxylation of alkenes with hydrogen peroxide as oxidant and water as nucleophile.","Journal of the American Chemical Society","2014","136","5","1766","1769","10.1021/ja412023b","","","0.71073","MoKα","","0.0433","0.0384","","","0.1045","0.1095","","","","","","1.066","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120577","11.9493","0.0009","13.2285","0.0009","15.9117","0.0011","103.066","0.004","112.628","0.005","104.644","0.005","2093.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.081","0.0555","","","0.1373","0.1546","","","","","","1.012","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120578","13.922","0.003","22.269","0.005","30.117","0.006","90","","102.16","0.03","90","","9128","4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 N12 O17 -","- C78 H90 N12 O17 -","- C312 H360 N48 O68 -","4","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1933","0.1732","","","0.4199","0.4539","","","","","","1.758","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120579","15.248","0.003","16.89","0.003","19.555","0.004","85.29","0.03","67.3","0.03","83.12","0.03","4609.1","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H101 Cl6 N12 O20 S -","- C87 H101 Cl6 N12 O20 S -","- C174 H202 Cl12 N24 O40 S2 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1689","0.1364","","","0.3537","0.3777","","","","","","1.337","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120580","12.784","0.002","14.385","0.002","15.914","0.002","112.032","0.004","99.694","0.005","98.655","0.003","2600","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H106 Cl12 N12 O22 -","- C94 H106 Cl12 N12 O22 -","- C94 H106 Cl12 N12 O22 -","1","0.5","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1","0.085","","","0.219","0.2366","","","","","","1.084","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120581","15.984","0.001","16.622","0.007","9.16","0.001","90","","90","","90","","2433.7","1.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H8.5 N3.5 O5 -","- C12 H8.5 N3.5 O5 -","- C96 H68 N28 O40 -","8","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0618","0.0507","","","0.1404","0.1518","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120582","7.442","0.001","12.755","0.002","18.706","0.001","74.31","0.009","82.691","0.006","76.12","0.011","1655.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O9 -","- C30 H38 N6 O9 -","- C60 H76 N12 O18 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","0.71073","MoKα","","0.0871","0.0504","","","0.1252","0.1464","","","","","","1.02","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120583","7.477","0.003","11.703","0.004","12.598","0.004","73.99","0.03","74.91","0.03","77.42","0.03","1010.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.5 H21 N4 O4.5 -","- C21.5 H18 N4 O4.5 -","- C43 H36 N8 O9 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0901","0.0747","","","0.173","0.184","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120584","13.057","0.002","16.5987","0.0015","20.386","0.004","71.835","0.01","87.525","0.016","66.901","0.012","3845.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 Cl3 N6 O8 -","- C33 H41 Cl3 N6 O8 -","- C132 H164 Cl12 N24 O32 -","4","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","0.71073","MoKα","","0.113","0.0788","","","0.1802","0.2001","","","","","","1.057","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120585","21.202","0.004","15.209","0.003","24.506","0.005","90","","95.07","0.03","90","","7871","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 N6 O9 -","- C40 H46 N6 O9 -","- C320 H368 N48 O72 -","8","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1131","0.094","","","0.2776","0.3037","","","","","","1.14","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120586","7.434","0.004","21.865","0.006","12.827","0.003","90","","90.51","0.03","90","","2084.9","1.4","278","2","278","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O9 -","- C20 H16 N6 O9 -","- C80 H64 N24 O36 -","4","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.1004","0.0516","","","0.1121","0.1428","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120587","10.1948","0.001","11.7506","0.0011","21.0907","0.0017","90","","90","","90","","2526.6","0.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js11nov13","","","- C23 H38 N3 O6 -","- C23 H38 N3 O6 -","- C92 H152 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.0706","0.0577","","","0.1464","0.155","","","","","","1.031","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120588","10.083","0.017","11.513","0.019","20.46","0.03","90","","90","","90","","2375","7","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js30jun11","","","- C21 H34 N3 O6 -","- C21 H34 N3 O6 -","- C84 H136 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.085","0.0711","","","0.1678","0.1825","","","","","","1.046","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120589","28.867","0.0001","28.867","0.0001","28.867","0.0001","90","","90","","90","","24055","0.14","123","2","123","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C48 H27 N0 O16 Zn4 -","- C48 H27 O16 Zn4 -","- C384 H216 O128 Zn32 -","8","0.333333","","Mo, Ke; Yang, Yuhua; Cui, Yong","A homochiral metal-organic framework as an effective asymmetric catalyst for cyanohydrin synthesis.","Journal of the American Chemical Society","2014","136","5","1746","1749","10.1021/ja411887c","","","1.54178","CuKα","","0.0955","0.0855","","","0.2286","0.2381","","","","","","1.072","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120590","12.2871","0.0002","12.2871","0.0002","46.554","0.0012","90","","90","","90","","7028.4","0.2","100","","100","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cu4 N4 O8 -","- C12 H16 Cu4 N4 O8 -","- C192 H256 Cu64 N64 O128 -","16","1","","Do, Hien-Quang; Bachman, Shoshana; Bissember, Alex C.; Peters, Jonas C.; Fu, Gregory C.","Photoinduced, copper-catalyzed alkylation of amides with unactivated secondary alkyl halides at room temperature.","Journal of the American Chemical Society","2014","136","5","2162","2167","10.1021/ja4126609","","","0.71073","MoKα","","0.0464","0.0332","","","0.0636","0.0677","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120591","11.1038","0.0005","16.6839","0.0009","18.0283","0.0009","90","","107.125","0.004","90","","3191.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 I2 N2 Ni O -","- C35 H32 I2 N2 Ni O -","- C140 H128 I8 N8 Ni4 O4 -","4","1","","Wiedemann, Thomas; Voit, Gregor; Tchernook, Alexandra; Roesle, Philipp; Göttker-Schnetmann, Inigo; Mecking, Stefan","Monofunctional hyperbranched ethylene oligomers.","Journal of the American Chemical Society","2014","136","5","2078","2085","10.1021/ja411945n","","","0.71073","MoKα","","0.0538","0.0346","","","0.0755","0.0804","","","","","","1.049","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120592","12.4874","0.0006","14.509","0.0007","32.8803","0.0015","90","","95.954","0.002","90","","5925.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H35 B2 F30 O2 P -","- C63 H35 B2 F30 O2 P -","- C252 H140 B8 F120 O8 P4 -","4","1","","Xu, Tieqi; Chen, Eugene Y.-X.","Probing site cooperativity of frustrated phosphine/borane lewis pairs by a polymerization study.","Journal of the American Chemical Society","2014","136","5","1774","1777","10.1021/ja412445n","","","0.71073","MoKα","","0.0796","0.0613","","","0.1302","0.138","","","","","","1.155","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120593","15.3537","0.0006","9.0513","0.0003","16.4471","0.0006","90","","114","0.002","90","","2088.06","0.14","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Au I2 P -","- C22 H16 Au I2 P -","- C88 H64 Au4 I8 P4 -","4","1","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0484","0.0374","","","0.0902","0.0953","","","","","","1.03","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120594","15.6992","0.0009","11.3526","0.0006","16.8558","0.001","90","","107.469","0.002","90","","2865.6","0.3","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Au Br2 P2 -","- C32 H27 Au Br2 P2 -","- C128 H108 Au4 Br8 P8 -","4","1","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0311","0.0226","","","0.0461","0.0487","","","","","","1.006","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120595","8.6523","0.0012","45.28","0.006","15.178","0.002","90","","95.053","0.004","90","","5923.3","1.4","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Au Cl2 P -","- C22 H16 Au Cl2 P -","- C264 H192 Au12 Cl24 P12 -","12","3","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0522","0.0437","","","0.0921","0.0949","","","","","","1.195","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120596","15.8638","0.0008","11.7729","0.0006","18.0265","0.0009","90","","98.615","0.001","90","","3328.7","0.3","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 Fe N4 O6 P2 -","- C28 H46 Cl2 Fe N4 O6 P2 -","- C112 H184 Cl8 Fe4 N16 O24 P8 -","4","1","","Klepser, Benjamin M.; Bartlett, Bart M.","Anchoring a Molecular Iron Catalyst to Solar-Responsive WO3 Improves the Rate and Selectivity of Photoelectrochemical Water Oxidation.","Journal of the American Chemical Society","2014","136","5","1694","1697","10.1021/ja4086808","","","0.71073","MoKα","","0.0785","0.0441","","","0.0935","0.1075","","","","","","1.002","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120597","14.238","0.004","18.939","0.005","19.681","0.005","104.533","0.006","96.912","0.008","94.763","0.004","5064","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H103 D16 N15 O13 Pd Pt -","- C101 H119 N15 O13 Pd Pt -","- C202 H238 N30 O26 Pd2 Pt2 -","2","1","","Beves, Jonathon E.; Blanco, Victor; Blight, Barry A.; Carrillo, Romen; D'Souza, Daniel M; Howgego, David; Leigh, David A.; Slawin, Alexandra M. Z.; Symes, Mark D.","Toward Metal Complexes That Can Directionally Walk Along Tracks: Controlled Stepping of a Molecular Biped with a Palladium(II) Foot.","Journal of the American Chemical Society","2014","136","5","2094","2100","10.1021/ja4123973","","","0.71075","MoKα","","0.1292","0.1041","","","0.2988","0.3374","","","","","","1.231","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120598","9.245","0.0006","12.5597","0.0008","18.4751","0.0012","90","","98.724","0.001","90","","2120.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FeCo","","","- C21 H24 Cl Co1.04 Fe0.96 N7 -","- C21 H24 Cl Co1.041 Fe0.959 N7 -","- C84 H96 Cl4 Co4.164 Fe3.836 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0501","0.0389","","","0.1049","0.1125","","","","","","1.022","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120599","9.3012","0.0008","12.4519","0.0011","18.5177","0.0016","90","","98.632","0.002","90","","2120.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MnCo","","","- C21 H24 Cl Co0.998 Mn1.002 N7 -","- C21 H24 Cl Co0.998 Mn1.002 N7 -","- C84 H96 Cl4 Co3.992 Mn4.008 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0646","0.0355","","","0.114","0.1363","","","","","","0.977","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120600","9.3327","0.0009","12.4574","0.0012","18.4915","0.0019","90","","98.5268","0.0015","90","","2126.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MnFe","","","- C21 H24 Cl Fe0.955 Mn1.05 N7 -","- C21 H24 Cl Fe0.957 Mn1.043 N7 -","- C84 H96 Cl4 Fe3.828 Mn4.172 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0609","0.0379","","","0.088","0.095","","","","","","0.949","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120601","9.5866","0.0007","14.8453","0.0011","14.9574","0.0011","90","","90","","90","","2128.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(PPL)CoCoCl","","","- C21 H24 Cl Co2 N7 -","- C21 H24 Cl Co2 N7 -","- C84 H96 Cl4 Co8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0196","0.0186","","","0.0477","0.0483","","","","","","1.009","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120602","9.245","0.0006","12.5597","0.0008","18.4751","0.0012","90","","98.724","0.001","90","","2120.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoFeCl","","","- C21 H24 Cl Co Fe N7 -","- C21 H24 Cl Co Fe N7 -","- C84 H96 Cl4 Co4 Fe4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0252","0.0226","","","0.0591","0.0607","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120603","9.3125","0.0007","12.5159","0.0009","18.574","0.0014","90","","98.631","0.001","90","","2140.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoMnCl","","","- C21 H24 Cl Co Mn N7 -","- C21 H24 Cl Co Mn N7 -","- C84 H96 Cl4 Co4 Mn4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0417","0.0297","","","0.0645","0.0695","","","","","","1.028","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120604","9.206","0.003","12.673","0.003","18.423","0.005","90","","100.544","0.003","90","","2113.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPL)FeFeCl","","","- C21 H24 Cl Fe2 N7 -","- C21 H24 Cl Fe2 N7 -","- C84 H96 Cl4 Fe8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0275","0.0234","","","0.066","0.0689","","","","","","1.006","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120605","9.3535","0.0004","12.5109","0.0005","18.5566","0.0008","90","","98.5002","0.0004","90","","2147.65","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)FeMnCl","","","- C21 H24 Cl Fe Mn N7 -","- C21 H24 Cl Fe Mn N7 -","- C84 H96 Cl4 Fe4 Mn4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0341","0.0265","","","0.0622","0.0659","","","","","","1.044","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120606","12.955","0.002","16.21","0.003","21.245","0.003","90","","106.123","0.002","90","","4286","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KCo(py3tren)","","","- C21 H24 Co K N7 -","- C21 H24 Co K N7 -","- C168 H192 Co8 K8 N56 -","8","2","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.1318","0.0626","","","0.1346","0.1667","","","","","","0.939","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120607","10.1666","0.0004","13.8647","0.0006","19.1051","0.0008","95.982","0.002","103.95","0.002","96.87","0.002","2569.95","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 Ge N O2 Si -","- C58 H75 Ge N O2 Si -","- C116 H150 Ge2 N2 O4 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.0627","0.0483","","","0.1237","0.1315","","","","","","1.051","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120608","10.2694","0.0007","15.7032","0.0012","28.1381","0.0019","90","","97.545","0.007","90","","4498.3","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 Ge N O Si -","- C51 H67 Ge N O Si -","- C204 H268 Ge4 N4 O4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.1284","0.0615","","","0.1403","0.1784","","","","","","1.056","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120609","10.3523","0.0005","14.1047","0.0007","15.535","0.0007","93.82","0.004","95.712","0.004","107.061","0.004","2146.79","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 N O Si Sn -","- C48 H61 N O Si Sn -","- C96 H122 N2 O2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.058","0.0511","","","0.1423","0.1458","","","","","","1.156","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120610","10.2642","0.0014","15.679","0.004","28.312","0.004","90","","98.491","0.013","90","","4506.4","1.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 N O Si Sn -","- C51 H67 N O Si Sn -","- C204 H268 N4 O4 Si4 Sn4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.1283","0.059","","","0.114","0.1489","","","","","","1.044","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120611","10.2677","0.0011","13.953","0.0013","19.249","0.002","95.626","0.008","104.476","0.009","97.307","0.008","2624.2","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 N O2 Si Sn -","- C58 H75 N O2 Si Sn -","- C116 H150 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.155","0.0793","","","0.1564","0.2053","","","","","","0.989","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120612","12.3645","0.0005","11.5922","0.0005","12.7948","0.0005","90","","112.031","0.0007","90","","1699.99","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 F6 N2 Si -","- C12 H32 F6 N2 Si -","- C48 H128 F24 N8 Si4 -","4","0.5","","Senaweera, Sameera M.; Singh, Anuradha; Weaver, Jimmie D.","Photocatalytic Hydrodefluorination: Facile Access to Partially Fluorinated Aromatics.","Journal of the American Chemical Society","2014","136","8","3002","","10.1021/ja500031m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0854","0.0879","","","","","","1.008","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120613","17.4249","0.0004","17.4249","0.0004","16.3359","0.0004","90","","90","","90","","4960","0.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50 H72 Ir2 O P4 -","- C50 H72 Ir2 O P4 -","- C200 H288 Ir8 O4 P16 -","4","0.25","","Burford, Richard J.; Piers, Warren E.; Ess, Daniel H.; Parvez, Masood","Reversible Interconversion Between a Monomeric Iridium Hydroxo and a Dinuclear Iridium μ-Oxo Complex.","Journal of the American Chemical Society","2014","136","8","3256","","10.1021/ja412650s","","","0.71073","MoKα","","0.0321","0.0255","","","0.0539","0.0586","","","","","","1.115","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120614","8.7034","0.0011","9.0617","0.0012","16.353","0.002","102.348","0.0016","97.179","0.0016","102.277","0.0016","1211.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O2.08 -","- C30 H37 N O2.08 -","- C60 H74 N2 O4.16 -","2","1","","Goetz, Adam E.; Silberstein, Amanda L.; Corsello, Michael A.; Garg, Neil K.","Concise Enantiospecific Total Synthesis of Tubingensin A.","Journal of the American Chemical Society","2014","136","8","3036","","10.1021/ja501142e","","","0.71073","MoKα","","0.0861","0.0564","","","0.1352","0.1505","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120615","8.6644","0.0013","8.6644","0.0013","7.1068","0.0014","90","","90","","120","","462.04","0.13","298","2","298","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al7.62 Au13.38 Sr3 -","- Al7.62 Au13.38 Sr3 -","- Al7.62 Au13.38 Sr3 -","1","0.0833333","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0206","0.0194","","","0.043","0.0433","","","","","","1.085","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120616","8.633","0.0013","8.633","0.0013","7.0832","0.0016","90","","90","","120","","457.18","0.14","298","2","298","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al8.81 Au12.19 Sr3 -","- Al8.808 Au12.192 Sr3 -","- Al8.808 Au12.192 Sr3 -","1","0.0833333","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0257","0.0239","","","0.052","0.0529","","","","","","1.154","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120617","8.9424","0.0011","7.232","0.0004","9.9182","0.0014","90","","90","","90","","641.42","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al1.95 Au5.05 Sr -","- Al1.948 Au5.052 Sr -","- Al7.792 Au20.208 Sr4 -","4","0.5","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0223","0.0193","","","0.0448","0.0457","","","","","","1.121","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120618","14.956","0.004","8.5641","0.0019","8.6718","0.001","90","","123.86","0.007","90","","922.3","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al1.67 Au7.33 Sr2 -","- Al1.676 Au7.324 Sr2 -","- Al6.704 Au29.296 Sr8 -","4","0.5","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0583","0.0469","","","0.1035","0.1076","","","","","","1.172","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120619","8.4475","0.0012","8.4475","0.0012","21.735","0.004","90","","90","","120","","1343.2","0.4","298","2","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al2.82 Au6.18 Sr2 -","- Al2.817 Au6.183 Sr2 -","- Al16.902 Au37.098 Sr12 -","6","0.166667","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0515","0.0449","","","0.0981","0.1003","","","","","","1.178","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120620","13.9757","0.001","14.2207","0.0012","7.494","0.0006","90","","97.598","0.008","90","","1476.3","0.2","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","0.7107","MoKα","","0.0633","0.0441","","","0.1044","0.1171","","","","","","1.065","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120621","10.7148","0.0006","10.3476","0.0006","17.2186","0.0012","90","","97.936","0.006","90","","1890.8","0.2","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","0.7107","MoKα","","0.0711","0.0503","","","0.1071","0.1211","","","","","","1.062","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120622","11.7262","0.0005","10.4463","0.0004","14.7106","0.0007","90","","106.804","0.005","90","","1725.04","0.14","289.94","0.1","289.94","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","1.5418","CuKα","","0.0465","0.0395","","","0.1074","0.1145","","","","","","1.033","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120623","7.7727","0.0004","10.1494","0.0006","24.4112","0.0014","90","","90","","90","","1925.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS-16069","hartwig45","","- C24 H22 Br N -","- C24 H22 Br N -","- C96 H88 Br4 N4 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.021","0.0194","","","0.0469","0.0477","","","","","","1.077","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120624","8.306","0.005","6.569","0.004","21.01","0.011","90","","100.631","0.006","90","","1126.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.1212","0.0675","","","0.1629","0.18","","","","","","0.872","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120625","6.6931","0.0009","18.67","0.002","18.714","0.002","90","","90","","90","","2338.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 S -","- C28 H30 N2 O2 S -","- C112 H120 N8 O8 S4 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.2126","0.0641","","","0.1202","0.1855","","","","","","0.856","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120626","7.7075","0.0003","12.7478","0.0006","25.5515","0.0011","90","","90","","90","","2510.53","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H0 N2 O4 -","- C29 H32 N2 O7 -","- C116 H128 N8 O28 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","1.54178","CuKα","","0.0377","0.0366","","","0.0966","0.0976","","","","","","1.058","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120627","9.7575","0.0017","10.35","0.0018","11.999","0.002","90","","111.993","0.004","90","","1123.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N2 O3 S -","- C27 H23 N2 O3 S -","- C54 H46 N4 O6 S2 -","2","1","","Gawade, Sagar Ashok; Huple, Deepak B.; Liu, Rai-Shung","Zn(II)- or Ag(I)-Catalyzed 1,4-Metathesis Reactions between 3-En-1-ynamides and Nitrosoarenes.","Journal of the American Chemical Society","2014","136","8","2978","","10.1021/ja412634w","","","0.71073","MoKα","","0.0697","0.0455","","","0.0858","0.0939","","","","","","1.007","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120628","10.4594","0.0011","11.0607","0.0012","18.1995","0.0019","77.313","0.005","85.045","0.005","63.691","0.005","1841.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 2.OEt2","","","- C37 H59.5 N3.5 Nb O0.5 -","- C37 H59.66 N3.34 Nb O0.66 -","- C74 H119.32 N6.68 Nb2 O1.32 -","2","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0516","0.0415","","","0.0979","0.1033","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120629","12.5538","0.0012","16.438","0.0016","19.6288","0.0019","89.171","0.002","80.656","0.001","88.005","0.001","3994.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 3","","","- C36 H59 N6 Nb Si -","- C36 H59 N6 Nb Si -","- C144 H236 N24 Nb4 Si4 -","4","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0504","0.0433","","","0.0965","0.0999","","","","","","1.142","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120630","24.042","0.003","18.1865","0.0019","17.3262","0.0017","90","","90","","90","","7575.7","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Complex 4","","","- C37 H59 N6 Nb -","- C37 H59 N6 Nb -","- C296 H472 N48 Nb8 -","8","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0641","0.0454","","","0.0976","0.1065","","","","","","1.032","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120631","12.7024","0.0006","21.4305","0.001","13.6706","0.0006","90","","93.776","0.002","90","","3713.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C37 H59 N4 Nb -","- C37 H59 N4 Nb -","- C148 H236 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.03","0.0269","","","0.064","0.0655","","","","","","1.07","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120632","11.1687","0.0004","17.714","0.0006","19.7346","0.0007","105.313","0.002","102.083","0.002","98.673","0.002","3593.3","0.2","76","2","76","2","","","","","","","","4","P -1","-P 1","2","Complex 6","","","- C37 H59 N4 Nb -","- C37 H59 N4 Nb -","- C148 H236 N16 Nb4 -","4","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0402","0.031","","","0.0684","0.0732","","","","","","1.071","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120633","11.4761","0.0008","17.2593","0.0012","21.9265","0.0014","90","","94.514","0.004","90","","4329.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Complex 7","","","- C45 H67 N4 Nb -","- C45 H67 N4 Nb -","- C180 H268 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0314","0.0257","","","0.0619","0.065","","","","","","1.044","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120634","12.1424","0.001","22.102","0.0019","15.9149","0.0013","90","","92.287","0.005","90","","4267.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 8","","","- C45 H67 N4 Nb -","- C45 H67 N4 Nb -","- C180 H268 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0832","0.0529","","","0.0998","0.1148","","","","","","1.029","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120635","8.5881","0.0001","20.1695","0.0002","19.1928","0.0002","90","","92.38","0.001","90","","3321.66","0.06","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H34 B F10 P -","- C37.5 H34 B F10 P -","- C150 H136 B4 F40 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.0573","0.0457","","","0.1297","0.1411","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120636","11.3351","0.0006","11.4675","0.0004","17.6404","0.0005","87.588","0.004","77.145","0.003","61.359","0.003","1956.39","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H29 P -","- C22 H29 P -","- C88 H116 P4 -","4","2","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.0509","0.0472","","","0.1294","0.1339","","","","","","1.066","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120637","14.7877","0.0006","14.8191","0.0015","18.9752","0.0016","90","","92.799","0.003","90","","4153.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H44 B F10 P -","- C44.5 H44 B F10 P -","- C178 H176 B4 F40 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.1165","0.0679","","","0.1708","0.2075","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120638","10.2513","0.0002","10.7475","0.0002","14.2965","0.0003","91.802","0.001","101.483","0.001","93.419","0.001","1539.34","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B F10 O P -","- C34 H30 B F10 O P -","- C68 H60 B2 F20 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0675","0.0643","","","0.185","0.1876","","","","","","1.063","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120639","11.0386","0.0002","10.5787","0.0002","13.2111","0.0002","90","","95.315","0.001","90","","1536.08","0.05","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H22 B F10 Fe P -","- C36 H22 B F10 Fe P -","- C72 H44 B2 F20 Fe2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0293","0.0286","","","0.0769","0.0783","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120640","11.3753","0.0002","14.52","0.0002","17.6399","0.0003","90","","90","","90","","2913.57","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe O3 P -","- C34 H41 Fe O3 P -","- C136 H164 Fe4 O12 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0455","0.0423","","","0.1","0.1034","","","","","","1.082","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120641","7.88","0.0001","9.68","0.0002","16.237","0.0003","90","","101.258","0.001","90","","1214.7","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 Fe O P -","- C29 H31 Fe O P -","- C58 H62 Fe2 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.028","0.0277","","","0.0724","0.073","","","","","","1.064","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120642","10.092","0.0002","15.3552","0.0003","16.1914","0.0003","90","","90","","90","","2509.1","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Fe P -","- C30 H33 Fe P -","- C120 H132 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0476","0.044","","","0.107","0.1115","","","","","","1.098","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120643","8.8458","0.0002","20.3854","0.0003","24.0753","0.0006","90","","90","","90","","4341.38","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H46 B F10 Fe P -","- C47 H46 B F10 Fe P -","- C188 H184 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1194","0.084","","","0.1447","0.1666","","","","","","1.159","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120644","8.8713","0.0002","9.5648","0.0001","49.7807","0.0007","90","","90","","90","","4224","0.12","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H39 B F10 Fe N P -","- C47 H39 B F10 Fe N P -","- C188 H156 B4 F40 Fe4 N4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0737","0.0586","","","0.1278","0.1394","","","","","","1.045","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120645","9.9126","0.0001","26.8254","0.0003","49.04","0.0006","90","","90","","90","","13040.2","0.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H43 B F10 Fe N P -","- C47 H43 B F10 Fe N P -","- C564 H516 B12 F120 Fe12 N12 P12 -","12","3","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1361","0.0817","","","0.1459","0.1747","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120646","11.5309","0.0001","18.6255","0.0002","23.0996","0.0004","90","","90","","90","","4961.07","0.11","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H50 B F10 Fe P -","- C58 H50 B F10 Fe P -","- C232 H200 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0692","0.0594","","","0.1194","0.1276","","","","","","1.062","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120647","10.8786","0.001","12.5301","0.001","22.1389","0.0018","90","","98.988","0.005","90","","2980.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N4 -","- C38 H40 N4 -","- C152 H160 N16 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1686","0.0686","","","0.1331","0.1755","","","","","","0.999","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120648","19.9123","0.0012","11.0521","0.0007","19.7629","0.0012","90","","103.857","0.001","90","","4222.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl F10 N6 -","- C44 H45 Cl F10 N6 -","- C176 H180 Cl4 F40 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1068","0.0559","","","0.1148","0.1461","","","","","","0.988","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120649","40.8091","0.0018","10.2663","0.0004","19.3106","0.0008","90","","117.971","0.003","90","","7145.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N8 O8 -","- C38 H36 N8 O8 -","- C304 H288 N64 O64 -","8","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0639","0.0507","","","0.1399","0.1535","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120650","12.455","0.0003","12.1362","0.0003","13.8791","0.0004","90","","104.608","0.001","90","","2030.1","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N10 O8 -","- C42 H42 N10 O8 -","- C84 H84 N20 O16 -","2","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0529","0.0437","","","0.1218","0.1307","","","","","","1.042","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120651","26.445","0.005","29.271","0.005","6.4052","0.0016","90","","90","","90","","4958.1","1.8","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C240 H240 N48 -","16","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0697","0.059","","","0.1459","0.1533","","","","","","1.073","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120652","15.485","0.002","17.588","0.002","10.7656","0.0016","90","","109.139","0.009","90","","2769.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 -","- C16 H15 Br N2 -","- C128 H120 Br8 N16 -","8","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1994","0.0825","","","0.1694","0.2137","","","","","","0.965","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120653","21.282","0.002","17.2226","0.0015","15.5673","0.0014","90","","108.712","0.002","90","","5404.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H77 Br N8 O4 -","- C56 H77 Br N8 O4 -","- C224 H308 Br4 N32 O16 -","4","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0622","0.0414","","","0.1042","0.1139","","","","","","1.031","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120654","10.9585","0.0009","11.1069","0.0008","16.6867","0.0015","78.438","0.004","77.178","0.004","75.91","0.004","1897.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 Br2 N6 -","- C42 H44 Br2 N6 -","- C84 H88 Br4 N12 -","2","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1103","0.0675","","","0.1554","0.1741","","","","","","1.076","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120655","17.3174","0.0009","11.0464","0.0005","20.6877","0.0009","90","","101.035","0.002","90","","3884.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.8 H33.6 Cl3.6 F10 N4 -","- C39.8 H33.6 Cl3.6 F10 N4 -","- C159.2 H134.4 Cl14.4 F40 N16 -","4","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0854","0.0612","","","0.1633","0.1811","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120656","11.8894","0.0009","11.8311","0.001","14.1611","0.0012","90","","103.366","0.003","90","","1938","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 F10 N6 -","- C42 H36 F10 N6 -","- C84 H72 F20 N12 -","2","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0473","0.0392","","","0.1111","0.1174","","","","","","1.03","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120657","10.6399","0.0006","24.5713","0.0013","11.5358","0.0006","90","","92.741","0.003","90","","3012.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C128 H112 N32 O32 -","8","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0653","0.0516","","","0.1384","0.1509","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120658","19.684","0.002","11.1411","0.0014","19.52","0.002","90","","99.53","0.003","90","","4221.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Br F10 N6 -","- C44 H41 Br F10 N6 -","- C176 H164 Br4 F40 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1208","0.0851","","","0.1946","0.2205","","","","","","1.029","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120659","10.0512","0.0008","10.709","0.0009","11.1899","0.0009","109.207","0.002","102.04","0.002","93.042","0.002","1102.7","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","1","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0505","0.0476","","","0.1223","0.1246","","","","","","1.03","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120660","10.4344","0.0003","28.1432","0.0009","13.8084","0.0004","90","","90.98","0.001","90","","4054.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N4 O4 -","- C46 H56 N4 O4 -","- C184 H224 N16 O16 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0814","0.061","","","0.1589","0.1731","","","","","","1.034","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120661","14.492","0.002","15.192","0.002","20.462","0.003","84.139","0.003","71.702","0.002","85.832","0.003","4250.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H59 Cl N6 O2 -","- C46 H59 Cl N6 O2 -","- C184 H236 Cl4 N24 O8 -","4","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1813","0.0768","","","0.1493","0.1963","","","","","","0.979","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120662","12.4523","0.0007","19.2145","0.0011","17.6399","0.0009","90","","93.479","0.003","90","","4212.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Br2 Cl N6 -","- C44 H53 Br2 Cl N6 -","- C176 H212 Br8 Cl4 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0458","0.0328","","","0.0882","0.0938","","","","","","1.029","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120663","10.7531","0.0006","19.8526","0.0013","21.1338","0.0011","90","","96.105","0.002","90","","4486","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 Cl N9 O9 -","- C45 H54 Cl N9 O9 -","- C180 H216 Cl4 N36 O36 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0743","0.0493","","","0.1303","0.1462","","","","","","1.037","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120664","19.646","0.002","11.2296","0.0014","19.645","0.002","90","","99.022","0.003","90","","4280.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 F10 I N6 -","- C44 H45 F10 I N6 -","- C176 H180 F40 I4 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0455","0.0399","","","0.1027","0.1065","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120665","12.2705","0.0005","10.5841","0.0006","27.6226","0.0006","90","","93.39","","90","","3581.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Br2 N5 -","- C40 H41 Br2 N5 -","- C160 H164 Br8 N20 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.113","0.0523","","","0.11","0.1209","","","","","","0.86","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120666","22.628","0.003","22.198","0.003","41.504","0.006","90","","90","","90","","20847","5","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C130 H192 Cl2 N43.67 O61.1 P2 Pd6 Pt Si2 -","- C130 H192 Cl2 N43.678 O61.063 P2 Pd6 Pt Si2 -","- C520 H768 Cl8 N174.712 O244.252 P8 Pd24 Pt4 Si8 -","4","0.5","","Kohyama, Yuh; Murase, Takashi; Fujita, Makoto","Metal-Organic Proximity in a Synthetic Pocket.","Journal of the American Chemical Society","2014","136","8","2966","","10.1021/ja412582k","","","0.71073","MoKα","","0.0999","0.0744","","","0.2045","0.2232","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120667","10.136","0.0006","10.9801","0.0009","25.322","0.002","90","","90","","90","","2818.2","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Al Cl2 N2 O2 -","- C29 H39 Al Cl2 N2 O2 -","- C116 H156 Al4 Cl8 N8 O8 -","4","1","","Pilone, Alessia; Press, Konstantin; Goldberg, Israel; Kol, Moshe; Mazzeo, Mina; Lamberti, Marina","Gradient Isotactic Multiblock Polylactides from Aluminum Complexes of Chiral Salalen Ligands.","Journal of the American Chemical Society","2014","136","8","2940","","10.1021/ja412798x","","","0.71073","MoKα","","0.0521","0.0449","","","0.1134","0.1196","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120668","18.26","0.002","20.91","0.003","27.801","0.003","90","","93.071","0.002","90","","10600","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C146 H168 Cu4 F24 Ir8 N16 O54 S8 -","- C142 H152 Cu4 F12 Ir8 N16 O42 S4 -","- C284 H304 Cu8 F24 Ir16 N32 O84 S8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.1397","0.0779","","","0.2031","0.2302","","","","","","0.967","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120669","34.111","0.006","34.111","0.006","22.396","0.004","90","","90","","90","","26059","8","173","2","173","2","","","","","","","","8","P -4 n 2","P -4 -2n","118","","","","- C192 H348 Cu4 F24 Ir8 N16 O114 S8 -","- C166 H168 Cu4 F18 Ir8 N16 O46 S6 -","- C664 H672 Cu16 F72 Ir32 N64 O184 S24 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.0892","0.0691","","","0.1577","0.1674","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120670","29.4297","0.0007","24.1596","0.0006","31.8628","0.0009","90","","90","","90","","22654.8","1","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10 -","- C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8 -","- C584 H608 Ag8 Cu16 F96 Ir32 N64 O224 S32 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1009","0.0728","","","0.1942","0.2109","","","","","","1.065","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120671","18.2183","0.0008","21.039","0.0009","27.5149","0.0011","90","","92.989","0.003","90","","10532","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H188 F24 Ir8 N20 Ni4 O58 S8 -","- C156 H160 F24 Ir8 N20 Ni4 O58 S8 -","- C312 H320 F48 Ir16 N40 Ni8 O116 S16 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1365","0.0925","","","0.2356","0.2676","","","","","","0.961","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120672","15.892","0.004","32.88","0.008","20.486","0.005","90","","94.06","0.005","90","","10678","5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C162 H206 Ag2 F30 Ir8 N18 O66 S10 Zn4 -","- C162 H158 Ag2 F30 Ir8 N18 O66 S10 Zn4 -","- C324 H316 Ag4 F60 Ir16 N36 O132 S20 Zn8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.113","0.0605","","","0.1517","0.1779","","","","","","1.007","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120673","14.6099","0.0007","7.1043","0.0003","22.2579","0.001","90","","95.823","0.003","90","","2298.3","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B F4 N5 Pt -","- C24 H26 B F4 N5 Pt -","- C96 H104 B4 F16 N20 Pt4 -","4","1","","Krikorian, Markrete; Liu, Shuang; Swager, Timothy M.","Columnar Liquid Crystallinity and Mechanochromism in Cationic Platinum(II) Complexes.","Journal of the American Chemical Society","2014","136","8","2952","","10.1021/ja4114352","","","1.54178","CuKα","","0.1166","0.0938","","","0.2349","0.2535","","","","","","1.11","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120674","10.1495","0.0011","10.3634","0.0005","12.2788","0.0013","92.766","0.005","107.648","0.006","98.821","0.005","1210","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 B N Si2 -","- C22 H28 B N Si2 -","- C44 H56 B2 N2 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0456","0.0418","","","0.1126","0.1161","","","","","","1.042","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120675","11.1344","0.0005","11.8923","0.0005","17.9487","0.0007","91.256","0.002","98.181","0.002","104.156","0.002","2277.04","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 B2 F15 N2 Si2 -","- C45 H33 B2 F15 N2 Si2 -","- C90 H66 B4 F30 N4 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0567","0.0499","","","0.1286","0.1331","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120676","21.0316","0.0004","14.0496","0.0002","14.0809","0.0002","90","","103.671","0.001","90","","4042.83","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 B2 F15 N Si2 -","- C40 H28 B2 F15 N Si2 -","- C160 H112 B8 F60 N4 Si8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","0.71073","MoKα","","0.1261","0.0803","","","0.1326","0.1559","","","","","","1.081","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120677","11.6645","0.0004","12.2645","0.0005","18.5329","0.0007","108.563","0.002","96.887","0.002","98.819","0.002","2443.04","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 B2 F15 Si2 -","- C40 H33 B2 F15 Si2 -","- C80 H66 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0601","0.0494","","","0.1409","0.1489","","","","","","1.068","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120678","10.8632","0.0004","11.8992","0.0006","14.8632","0.0009","81.215","0.004","84.155","0.003","68.825","0.003","1768.26","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 B2 F15 Si2 -","- C34 H23 B2 F15 Si2 -","- C68 H46 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0744","0.0481","","","0.117","0.1328","","","","","","1.028","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120679","7.1747","0.0002","7.9625","0.0003","8.5502","0.0003","69.509","0.001","84.347","0.001","75.715","0.001","443.37","0.03","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 O6 P -","- C18 H21 O6 P -","- C18 H21 O6 P -","1","1","","Jang, Ki Po; Hutson, Gerri E.; Johnston, Ryne C.; McCusker, Elizabeth O.; Cheong, Paul H.-Y.; Scheidt, Karl A.","Asymmetric Homoenolate Additions to Acyl Phosphonates through Rational Design of a Tailored N-Heterocyclic Carbene Catalyst.","Journal of the American Chemical Society","2014","136","1","76","79","10.1021/ja410932t","","","1.54178","CuKα","","0.0283","0.0283","","","0.0757","0.0759","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120680","16.9057","0.0006","10.5686","0.0004","21.5417","0.001","90","","101.02","0.0017","90","","3777.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H58 Ge O4 Si3 W -","- C32 H58 Ge O4 Si3 W -","- C128 H232 Ge4 O16 Si12 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71069","MoKα","","0.0585","0.0481","","","0.0994","0.111","","","","","","1.264","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120681","8.9578","0.0007","9.0925","0.0007","21.22","0.0017","81.533","0.006","78.365","0.006","76.447","0.005","1636.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 Ge O3 Si3 W -","- C27 H50 Ge O3 Si3 W -","- C54 H100 Ge2 O6 Si6 W2 -","2","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71075","MoKα","","0.0329","0.0277","","","0.0583","0.06","","","","","","1.031","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120682","9.722","0.0009","16.2451","0.0016","21.645","0.002","98.61","0.004","100.124","0.004","94.125","0.004","3310.4","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C136 H144 N16 O24 S8 -","8","4","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.04","0.0321","","","0.0789","0.0839","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120683","10.5744","0.0007","10.7434","0.0007","12.6461","0.0009","74.312","0.003","71.548","0.003","79.44","0.003","1304.51","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 N O3 S -","- C27 H27 Cl2 N O3 S -","- C54 H54 Cl4 N2 O6 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.049","0.0429","","","0.1069","0.1116","","","","","","1.021","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120684","5.0497","0.0005","9.2653","0.001","13.2307","0.0016","90","","98.504","0.007","90","","612.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C22 H28 N4 O8 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.0451","0.0373","","","0.0803","0.0838","","","","","","1.024","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120685","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120686","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120687","7.5337","0.0013","17.205","0.003","27.444","0.005","90","","90","","90","","3557.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 O2 P2 -","- C44 H38 O2 P2 -","- C176 H152 O8 P8 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0597","0.0436","","","0.0949","0.1029","","","","","","0.998","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120688","9.4609","0.0007","21.4594","0.0017","22.4518","0.0017","90","","90","","90","","4558.3","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H47 Br Cl4 O2 P2 Pd -","- C49 H47 Br Cl4 O2 P2 Pd -","- C196 H188 Br4 Cl16 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.057","0.0436","","","0.1023","0.1082","","","","","","1.008","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120689","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120690","9.7151","0.0014","15.526","0.002","17.882","0.003","90","","103.757","0.005","90","","2619.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au N4 O3 S -","- C27 H31 Au N4 O3 S -","- C108 H124 Au4 N16 O12 S4 -","4","1","","Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.","Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.","Journal of the American Chemical Society","2014","136","1","254","264","10.1021/ja408712e","","","1.54178","CuKα","","0.0445","0.0431","","","0.1157","0.1178","","","","","","1.055","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120691","17.133","0.0006","7.1093","0.0003","17.3925","0.0006","90","","116.397","0.002","90","","1897.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Au Br3 S -","- C4 H8 Au Br3 S -","- C32 H64 Au8 Br24 S8 -","8","2","","Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.","Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.","Journal of the American Chemical Society","2014","136","1","254","264","10.1021/ja408712e","","","0.71073","MoKα","","0.0213","0.0164","","","0.0398","0.0434","","","","","","1.081","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120692","15.493","0.004","17.157","0.004","21.556","0.005","82.13","0.003","73.244","0.003","64.983","0.003","4971","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","lsw30jun13a","","","- C96 H108 Au11 P6 -","- C96 H108 Au11 P6 -","- C192 H216 Au22 P12 -","2","1","","Chen, Jing; Zhang, Qian-Fan; Bonaccorso, Timary A.; Williard, Paul G.; Wang, Lai-Sheng","Controlling gold nanoclusters by diphospine ligands.","Journal of the American Chemical Society","2014","136","1","92","95","10.1021/ja411061e","","","0.7749","","","0.1545","0.088","","","0.2253","0.2768","","","","","","0.979","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120693","4.3886","0.0001","13.3722","0.0003","15.5729","0.0004","90","","90","","90","","913.9","0.04","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cu N2 O3 -","- C10 H8 Cu N2 O3 -","- C40 H32 Cu4 N8 O12 -","4","1","","Zhang, Teng; Wang, Cheng; Liu, Shubin; Wang, Jin-Liang; Lin, Wenbin","A biomimetic copper water oxidation catalyst with low overpotential.","Journal of the American Chemical Society","2014","136","1","273","281","10.1021/ja409267p","","","1.54178","CuKα","","0.0414","0.0386","","","0.1115","0.1154","","","","","","0.992","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120694","14.2771","0.0017","5.5968","0.0004","14.1592","0.0013","90","","90","","90","","1131.41","0.19","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba3 Cl O10 P3 -","- Ba3 Cl O10 P3 -","- Ba12 Cl4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0358","0.029","","","0.0451","0.0477","","","","","","1.148","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120695","7.1722","0.0018","11.364","0.003","13.998","0.004","90","","90","","90","","1140.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 Br O10 P3 -","- Ba3 Br O10 P3 -","- Ba12 Br4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0329","0.0328","","","0.0707","0.0708","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120696","23.329","0.002","18.055","0.003","25.448","0.003","90","","114.892","0.008","90","","9723","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H160 F48 N40 O8 P8 Ru8 -","- C184 H160 F48 N40 O8 P8 Ru8 -","- C368 H320 F96 N80 O16 P16 Ru16 -","2","0.25","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Meyer, Steffen; Meyer, Franc; Llobet, Antoni","New powerful and oxidatively rugged dinuclear ru water oxidation catalyst: control of mechanistic pathways by tailored ligand design.","Journal of the American Chemical Society","2014","136","1","24","27","10.1021/ja409974b","","","0.71073","MoKα","","0.072","0.0369","","","0.0689","0.0753","","","","","","0.853","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120697","12.7175","0.0003","18.84","0.0005","21.7489","0.0006","91.46","0.002","105.661","0.002","92.752","0.002","5007.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 S Si6 U -","- C30 H78 K N3 O6 S Si6 U -","- C120 H312 K4 N12 O24 S4 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0391","0.025","","","0.0539","0.0568","","","","","","0.901","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120698","11.2243","0.0003","16.4779","0.0004","32.1639","0.0008","90","","91.774","0.002","90","","5946","0.3","104","2","104","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H95 K N5 O6.5 S Si6 U -","- C38 H54 K N5 O6.5 S Si6 U -","- C152 H216 K4 N20 O26 S4 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0692","0.0512","","","0.1473","0.1593","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120699","11.0235","0.0007","12.7783","0.0008","18.3992","0.0012","91.254","0.004","93.268","0.004","106.365","0.004","2480.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H78 K N3 O7 Si6 U -","- C30 H60 K N3 O7 Si6 U -","- C60 H120 K2 N6 O14 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0583","0.0535","","","0.1277","0.1297","","","","","","1.1","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120700","11.7031","0.0004","12.7108","0.0004","17.4991","0.0007","90.802","0.002","92.647","0.002","96.274","0.002","2584.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H79 N3 O2 Si6 U -","- C41 H79 N3 O2 Si6 U -","- C82 H158 N6 O4 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.042","0.0345","","","0.1257","0.1316","","","","","","1.057","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120701","12.4741","0.0004","12.5528","0.0004","12.8731","0.0004","87.589","0.002","67.196","0.002","86.878","0.002","1854.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H110 K2 O16 -","- C78 H82 K2 O16 -","- C78 H82 K2 O16 -","1","0.5","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.1144","0.0794","","","0.1664","0.1691","","","","","","3.496","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120702","15.8489","0.0017","34.478","0.004","11.8844","0.0013","90","","90","","90","","6494.1","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H102 Li N4 O8 Si6 U -","- C53 H102 Li N4 O8 Si6 U -","- C212 H408 Li4 N16 O32 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.064","0.0406","","","0.0644","0.0697","","","","","","1.027","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120703","17.919","0.002","15.3943","0.0015","9.6893","0.0012","90","","90","","90","","2672.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C104 H152 N24 O16 -","8","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.1167","0.0935","","","0.1839","0.1971","","","","","","1.115","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120704","27.8949","0.001","27.8949","0.001","16.4272","0.0007","90","","90","","90","","12782.4","0.8","153","2","153","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C42 H31 N3 O3 -","- C41 H27 N3 O2 -","- C656 H432 N48 O32 -","16","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.7107","MoKα","","0.1475","0.0745","","","0.1451","0.153","","","","","","1.711","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120705","9.882","0.0004","10.053","0.0005","21.2051","0.0009","81.036","0.001","78.409","0.001","62.916","0.001","1832.33","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H30 N6 O8 -","- C47 H30 N6 O8 -","- C94 H60 N12 O16 -","2","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71069","MoKα","","0.1056","0.0534","","","0.1117","0.1363","","","","","","1.011","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120706","8.4734","0.0015","8.5039","0.0015","19.304","0.003","79.287","0.003","79.415","0.003","89.781","0.003","1342.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","2","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.0663","0.0578","","","0.1437","0.1476","","","","","","1.188","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4121401","30.4975","0.0019","30.4975","0.0019","13.3192","0.0009","90","","90","","90","","12388.2","1.4","90","2","90","2","","","","","","","","8","P 4","P 4","75","","","","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C422 H304 Dy2 F18 N80 O90 S6 Zn32 -","2","0.5","","Trivedi, Evan R.; Eliseeva, Svetlana V.; Jankolovits, Joseph; Olmstead, Marilyn M.; Petoud, Stéphane; Pecoraro, Vincent L.","Highly emitting near-infrared lanthanide ""encapsulated sandwich"" metallacrown complexes with excitation shifted toward lower energy.","Journal of the American Chemical Society","2014","136","4","1526","1534","10.1021/ja4113337","","","0.71073","MoKα","","0.0514","0.0415","","","0.1333","0.1402","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4121402","7.2221","0.0001","14.9351","0.0002","17.0443","0.0002","90","","93.767","0.001","90","","1834.47","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl Ir N O -","- C21 H23 Cl Ir N O -","- C84 H92 Cl4 Ir4 N4 O4 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0214","0.0207","","","0.0469","0.0472","","","","","","1.181","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121403","9.1491","0.0004","10.4209","0.0004","14.3917","0.0006","75.867","0.002","87.839","0.002","74.111","0.002","1279.14","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl5 Ir N O2 -","- C23 H27 Cl5 Ir N O2 -","- C46 H54 Cl10 Ir2 N2 O4 -","2","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0225","0.0216","","","0.0524","0.0529","","","","","","1.086","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121404","12.814","0.0002","13.721","0.0002","18.1145","0.0003","106.177","0.001","110.323","0.001","98.016","0.001","2767.98","0.08","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H37 B Cl2 F24 Ir N O -","- C54 H37 B Cl2 F24 Ir N O -","- C108 H74 B2 Cl4 F48 Ir2 N2 O2 -","2","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0242","0.0237","","","0.0593","0.0598","","","","","","1.086","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121405","13.1858","0.0003","20.15","0.0005","24.1403","0.0006","90","","100.181","0.001","90","","6312.9","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H39 B Cl F30 Ir N2 O -","- C62 H39 B Cl F30 Ir N2 O -","- C248 H156 B4 Cl4 F120 Ir4 N8 O4 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0325","0.0283","","","0.0675","0.0695","","","","","","1.036","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121407","6.1661","0.0004","15.0421","0.0009","29.201","0.0017","90","","90","","90","","2708.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N4 O9 -","- C27 H33 N4 O9 -","- C108 H132 N16 O36 -","4","1","","Parker, Matthew F. L.; Osuna, Sílvia; Bollot, Guillaume; Vaddypally, Shivaiah; Zdilla, Michael J.; Houk, K. N.; Schafmeister, Christian E.","Acceleration of an Aromatic Claisen Rearrangement via a Designed Spiroligozyme Catalyst that Mimics the Ketosteroid Isomerase Catalytic Dyad.","Journal of the American Chemical Society","2014","136","10","3817","3827","10.1021/ja409214c","","","0.71073","MoKα","","0.0436","0.0364","","","0.0836","0.0875","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121408","13.0126","0.0004","13.1146","0.0004","13.9071","0.0004","84.956","0.001","69.273","0.001","84.608","0.001","2206.08","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.9 H29.1 N3.3 O9.3 Zn2 -","- C37.9 H29.1 N3.3 O9.3 Zn2 -","- C75.8 H58.2 N6.6 O18.6 Zn4 -","2","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0568","0.0463","","","0.1321","0.1374","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121409","17.0963","0.0003","19.9054","0.0003","14.0678","0.0002","90","","95.978","0.001","90","","4761.36","0.13","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C208.8 H131.2 N13.6 O49.6 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0594","0.0408","","","0.0889","0.0968","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121410","17.1323","0.0014","19.8444","0.0016","14.0625","0.0012","90","","96.159","0.001","90","","4753.4","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C207.84 H128.96 N13.28 O49.28 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0795","0.0504","","","0.1136","0.1255","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121411","17.574","0.0007","20.2877","0.0006","21.8764","0.0007","76.155","0.003","80.617","0.003","86.112","0.003","7468.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","BN-DBTTC-C6","","","- C180 H0 B6 N6 O0 S12 -","- C180 B6 N6 S12 -","- C360 B12 N12 S24 -","2","1","","Wang, Xiao-Ye; Zhuang, Fang-Dong; Wang, Rui-Bo; Wang, Xin-Chang; Cao, Xiao-Yu; Wang, Jie-Yu; Pei, Jian","A Straightforward Strategy toward Large BN-Embedded π-Systems: Synthesis, Structure, and Optoelectronic Properties of Extended BN Heterosuperbenzenes.","Journal of the American Chemical Society","2014","136","10","3764","3767","10.1021/ja500117z","","","1.54178","CuKα","","0.1683","0.14","","","0.3837","0.4378","","","","","","0.966","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121412","18.6813","0.0012","8.6489","0.0004","5.8008","0.0003","90","","96.215","0.003","90","","931.74","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hg (O Te F5)2","","","- F10 Hg O2 Te2 -","- F10 Hg O2 Te2 -","- F40 Hg4 O8 Te8 -","4","0.5","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0545","0.0461","","","0.1191","0.1232","","","","","","1.11","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121413","9.0574","0.0002","17.8943","0.0003","9.1285","0.0002","90","","114.548","0.001","90","","1345.78","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hg (O Te F5)2, (Xe F2)1.5","","","- F13 Hg O2 Te2 Xe1.5 -","- F13 Hg O2 Te2 Xe1.5 -","- F52 Hg4 O8 Te8 Xe6 -","4","1","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0426","0.0282","","","0.0558","0.0595","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121414","8.7981","0.0004","17.4159","0.0009","9.2247","0.0004","90","","113.783","0.003","90","","1293.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hg (O Te F5)2, (Kr F2)1.5","","","- F13 Hg Kr1.5 O2 Te2 -","- F13 Hg Kr1.5 O2 Te2 -","- F52 Hg4 Kr6 O8 Te8 -","4","1","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0346","0.0284","","","0.0693","0.0716","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121415","16.288","0.0006","19.2991","0.0006","5.3395","0.0002","90","","90","","90","","1678.44","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Cl2 N6 -","- C20 H12 Cl2 N6 -","- C80 H48 Cl8 N24 -","4","0.5","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.0523","0.0376","","","0.0875","0.0925","","","","","","0.994","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121416","18.289","0.004","31.753","0.008","19.041","0.004","90","","101.35","0.008","90","","10841","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C113 H100 Cl2 N10 O12 -","- C113 H100 Cl2 N10 O12 -","- C452 H400 Cl8 N40 O48 -","4","1","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.2317","0.1655","","","0.3629","0.3819","","","","","","1.993","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121417","10.1012","0.0004","9.8645","0.0004","14.7218","0.0006","90","","92.917","0.003","90","","1465.03","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C60 H72 Cl4 N4 O8 -","4","2","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0787","0.0597","","","0.1402","0.1505","","","","","","1.03","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121418","5.6723","0.0005","12.279","0.001","16.043","0.0013","90","","90","","90","","1117.4","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0297","0.0284","","","0.069","0.0699","","","","","","1.07","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121419","13.099","0.005","13.355","0.005","14.078","0.005","71.968","0.004","69.923","0.004","70.857","0.004","2130.7","1.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.1509","0.1055","","","0.305","0.3396","","","","","","1.036","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121420","12.708","0.004","13.214","0.005","14.931","0.005","71.792","0.004","69.208","0.004","62.66","0.004","2048.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.25 H35 Cl2 Fe N10 O11.75 -","- C37.25 H34 Cl2 Fe N10 O11.75 -","- C74.5 H68 Cl4 Fe2 N20 O23.5 -","2","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.1141","0.0781","","","0.2015","0.2357","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121421","14.0569","0.0017","21.606","0.003","15.2698","0.0019","90","","114.946","0.002","90","","4205","0.9","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H39 Cl2 Fe N10 O11.5 -","- C40.398 H38.796 Cl2 Fe N10 O11.466 -","- C161.592 H155.184 Cl8 Fe4 N40 O45.864 -","4","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.059","0.0512","","","0.1372","0.1454","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121422","14.041","0.004","15.174","0.004","21.268","0.006","90","","108.413","0.003","90","","4299","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F3 N O -","- C26 H24 F3 N O -","- C208 H192 F24 N8 O8 -","8","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0961","0.0595","","","0.1347","0.1501","","","","","","1.049","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121423","32.495","0.004","7.4802","0.0009","17.551","0.002","90","","105.813","0.002","90","","4104.7","0.8","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H22 F3 N O -","- C25 H22 F3 N O -","- C200 H176 F24 N8 O8 -","8","2","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0596","0.0446","","","0.0948","0.102","","","","","","1.038","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121424","9.4028","0.0013","10.1616","0.0014","14.165","0.0019","107.003","0.002","109.02","0.002","95.887","0.002","1193.9","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F3 N O -","- C29 H31 F3 N O -","- C58 H62 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.062","0.0563","","","0.1488","0.155","","","","","","1.047","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121425","25.51","0.003","8.9782","0.0012","26.541","0.003","90","","112.593","0.002","90","","5612.3","1.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 F3 N O -","- C35 H35 F3 N O -","- C280 H280 F24 N8 O8 -","8","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0571","0.0424","","","0.0932","0.1007","","","","","","1.02","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121426","10.579","0.002","10.658","0.002","13.229","0.003","75.671","0.003","76.455","0.003","82.608","0.003","1401","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 F3 N O -","- C36 H30 F3 N O -","- C72 H60 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0671","0.0451","","","0.0908","0.1012","","","","","","1.04","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121427","5.6284","0.0005","15.5917","0.0015","18.8291","0.0018","90","","90","","90","","1652.4","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C80 H72 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0441","0.0345","","","0.0785","0.0834","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121428","11.401","0.003","14.913","0.004","15.965","0.004","90","","97.817","0.003","90","","2689.2","1.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F3 N O -","- C36 H30 F3 N O -","- C144 H120 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0955","0.0487","","","0.1008","0.1156","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121429","9.075","0.002","9.991","0.002","13.562","0.003","101.559","0.002","104.089","0.003","97.615","0.003","1147","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 F3 N O -","- C28 H28 F3 N O -","- C56 H56 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.1004","0.0721","","","0.1821","0.202","","","","","","1.043","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121430","17.148","0.002","11.3383","0.0015","14.3781","0.0019","90","","96.218","0.002","90","","2779.1","0.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 F3 N O2 -","- C33 H30 F3 N O2 -","- C132 H120 F12 N4 O8 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0807","0.048","","","0.0954","0.1072","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121431","9.687","0.002","9.819","0.002","12.399","0.003","83.01","0.003","73.99","0.003","70.346","0.003","1067","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F3 N O2 -","- C26 H24 F3 N O2 -","- C52 H48 F6 N2 O4 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.094","0.0572","","","0.1225","0.1395","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121432","28.6041","0.0014","8.1727","0.0004","22.0769","0.0011","90","","110.543","0.002","90","","4832.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Horeischi, Fiene; Biber, Nicole; Plietker, Bernd","The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.","Journal of the American Chemical Society","2014","136","10","4026","4030","10.1021/ja500063a","","","0.71073","MoKα","","0.0778","0.0486","","","0.1055","0.1138","","","","","","1.031","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121433","8.6352","0.0006","10.1575","0.0007","13.0283","0.0008","79.15","0.003","77.585","0.003","74.196","0.004","1063.56","0.13","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","","Horeischi, Fiene; Biber, Nicole; Plietker, Bernd","The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.","Journal of the American Chemical Society","2014","136","10","4026","4030","10.1021/ja500063a","","","0.71073","MoKα","","0.0721","0.0439","","","0.1004","0.1087","","","","","","1.026","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121434","18.067","0.004","22.497","0.005","32.866","0.007","78.64","0.03","80.51","0.03","82.79","0.03","12858","5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H177 Cu8 F48 N39.5 O8.25 P8 -","- C192 H165 Cu8 F48 N39.5 O8.25 P8 -","- C384 H330 Cu16 F96 N79 O16.5 P16 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1541","0.0802","","","0.2336","0.2582","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121435","23.101","0.009","23.101","0.009","46.775","0.018","90","","90","","90","","24962","17","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C188 H152 Ag Au2 B7 Cu8 F28 N36 -","- C188 H152 Ag Au2 B4 Cu8 F16 N36 -","- C376 H304 Ag2 Au4 B8 Cu16 F32 N72 -","2","0.25","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1175","0.0986","","","0.2563","0.2719","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121436","47.2607","0.001","25.8641","0.0005","38.3681","0.0009","90","","109.894","0.002","90","","44100.7","1.7","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H124 B8 Br16 Cu8 F32 N37 O0.5 -","- C180 H102 B6.5 Br16 Cu8 F25.5 N37 O0.5 -","- C1440 H816 B52 Br128 Cu64 F204 N296 O4 -","8","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.0774","0.0668","","","0.1813","0.19","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121437","35.408","0.005","35.408","0.005","45.801","0.009","90","","90","","120","","49729","14","180","2","180","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C184 H152 Ag8 B8 F32 N32 -","- C184 H152 Ag8 B4.66667 F18.6667 N32 -","- C1656 H1368 Ag72 B42 F168 N288 -","9","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.0712","0.0569","","","0.1441","0.1541","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121438","23.054","0.0005","47.6698","0.0016","23.0934","0.0005","90","","90.249","0.002","90","","25378.9","1.2","120","2","120","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C416 H646 Au3 B0 Cu8 F56 N74 O38 Sb7 -","- C188 H152 Au3 Cu8 N36 -","- C376 H304 Au6 Cu16 N72 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1538","0.1457","","","0.3618","0.3709","","","","","","1.595","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121439","22.896","0.003","22.896","0.003","95.642","0.019","90","","90","","90","","50138","14","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C228 H214 Cu8 F48 N40 O3 P8 -","- C216 H184 Cu8 F48 N40 P8 -","- C1728 H1472 Cu64 F384 N320 P64 -","8","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1149","0.1048","","","0.3081","0.3179","","","","","","1.042","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4121440","23.215","0.006","46.98","0.012","22.848","0.006","90","","90.171","0.002","90","","24919","11","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C220 H194 Au2 Cu9 F48 K N40 O3 P8 -","- C220 H192 Au2 Cu9 F48 K N40 O3 P8 -","- C880 H768 Au8 Cu36 F192 K4 N160 O12 P32 -","4","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1312","0.1172","","","0.3297","0.3418","","","","","","1.546","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121441","35.492","0.009","35.492","0.009","20.593","0.005","90","","90","","90","","25941","11","100","2","100","2","","","","","","","","6","P -4","P -4","81","","","","- C208 H168 B8 Cu8 F32 N32 -","- C208 H168 B4 Cu8 F16 N32 -","- C832 H672 B16 Cu32 F64 N128 -","4","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1105","0.0841","","","0.2206","0.2384","","","","","","1.025","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121442","20.2363","0.0007","14.4798","0.0003","23.167","0.0008","90","","107.135","0.002","90","","6487","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H82 Co2 Fe2 N4 S4 -","- C73 H82 Co2 Fe2 N4 S4 -","- C292 H328 Co8 Fe8 N16 S16 -","4","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.1128","0.0669","","","0.1397","0.1576","","","","","","1.05","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121443","9.9126","0.0004","41.2369","0.0014","15.839","0.0007","90","","108.107","0.003","90","","6153.8","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H89 Fe2 N8 O S4 -","- C60 H89 Fe2 N8 O S4 -","- C240 H356 Fe8 N32 O4 S16 -","4","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.1146","0.0673","","","0.1481","0.168","","","","","","1.01","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121444","10.2488","0.0004","15.4826","0.0007","17.6402","0.0007","73.265","0.003","81.038","0.003","88.624","0.003","2647.2","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H67 Fe2 N7 O3 S4 -","- C51 H67 Fe2 N7 O3 S4 -","- C102 H134 Fe4 N14 O6 S8 -","2","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.0733","0.05","","","0.1215","0.1311","","","","","","1.039","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121445","9.9172","0.0008","9.9172","0.0008","13.033","0.002","90","","90","","120","","1110.1","0.2","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mn Na4 U6 -","- F30 Mn Na4.00002 U6 -","- F60 Mn2 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0512","0.0449","","","0.1089","0.1119","","","","","","1.187","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121446","9.8882","0.0003","9.8882","0.0003","13.0152","0.0009","90","","90","","120","","1102.09","0.09","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Co F30 Na4 U6 -","- Co F30 Na4.00002 U6 -","- Co2 F60 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0342","0.0304","","","0.0676","0.0689","","","","","","1.148","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121447","9.8623","0.0006","9.8623","0.0006","13.0147","0.0016","90","","90","","120","","1096.28","0.16","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 Ni U6 -","- F30 Na4.00002 Ni U6 -","- F60 Na8.00004 Ni2 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0407","0.0367","","","0.088","0.0898","","","","","","1.161","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121448","9.8826","0.0003","9.8826","0.0003","13.0106","0.0008","90","","90","","120","","1100.45","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cu F30 Na4 U6 -","- Cu F30 Na4.02 U6 -","- Cu2 F60 Na8.04 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0327","0.0299","","","0.0702","0.0713","","","","","","1.225","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121449","9.8783","0.0007","9.8783","0.0007","13.0455","0.0018","90","","90","","120","","1102.44","0.19","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 U6 Zn -","- F30 Na4.0002 U6 Zn -","- F60 Na8.0004 U12 Zn2 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0469","0.0361","","","0.0719","0.0757","","","","","","1.079","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121450","15.647","0.0007","17.5051","0.0008","18.3972","0.0009","89.321","0.001","71.715","0.001","69.433","0.001","4452.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H73 O2 P -","- C53 H73 O2 P -","- C212 H292 O8 P4 -","4","2","","Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L.","Pd-catalyzed nucleophilic fluorination of aryl bromides.","Journal of the American Chemical Society","2014","136","10","3792","3795","10.1021/ja5009739","","","0.71073","MoKα","","0.0777","0.0667","","","0.18","0.1927","","","","","","1.052","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121451","6.5811","0.0011","7.0763","0.0012","33.062","0.006","90","","90","","90","","1539.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.044","0.0359","","","0.0757","0.0805","","","","","","0.995","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121452","23.505","0.003","15.5207","0.0017","20.919","0.002","90","","90","","90","","7631.5","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C272 H272 Cl16 N32 O48 -","16","2","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.0807","0.0564","","","0.1611","0.1793","","","","","","1.092","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121453","10.5501","0.0007","10.8464","0.0008","14.8158","0.001","97.7821","0.0009","96.6675","0.0009","101.584","0.0008","1627.5","0.2","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.","Journal of the American Chemical Society","2014","136","10","3796","3799","10.1021/ja501028v","","","0.71073","MoKα","","0.0448","0.0389","","","0.0917","0.0965","","","","","","1.005","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121454","13.309","0.003","13.381","0.003","18.906","0.004","90","","98.895","0.003","90","","3326.4","1.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","1","","Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.","Journal of the American Chemical Society","2014","136","10","3796","3799","10.1021/ja501028v","","","0.71073","MoKα","","0.0545","0.0433","","","0.101","0.1075","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121455","4.9531","0.0001","12.3326","0.0003","29.4659","0.0007","90","","90","","90","","1799.91","0.07","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Cong, Huan; Fu, Gregory C.","Catalytic enantioselective cyclization/cross-coupling with alkyl electrophiles.","Journal of the American Chemical Society","2014","136","10","3788","3791","10.1021/ja500706v","","","1.54178","CuKα","","0.0249","0.0244","","","0.0617","0.0627","","","","","","1.053","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121456","7.5438","0.0006","10.6784","0.0009","32.488","0.003","90","","90","","90","","2617.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br O4 -","- C29 H35 Br O4 -","- C116 H140 Br4 O16 -","4","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54178","CuKα","","0.029","0.0283","","","0.0731","0.0737","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121457","7.0876","0.0017","8.3046","0.0019","10.113","0.002","90","","109.547","0.014","90","","560.9","0.2","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 Br2 O3 -","- C11 H10 Br2 O3 -","- C22 H20 Br4 O6 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","0.71075","MoKα","","","0.0532","","","","0.0868","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121458","9.68701","0.00018","10.1076","0.0002","13.631","0.001","100.102","0.007","104.084","0.007","109.826","0.008","1168.12","0.14","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54187","CuKα","","","0.0404","","","","0.1103","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121459","17.8348","0.0017","17.8348","0.0017","17.8348","0.0017","90","","90","","90","","5672.9","0.9","363.15","","363.15","","","","","","","","","4","P n -3","-P 2ab 2bc 3","201","","MOF-801","","- C24 H12 O32 Zr6 -","- C24 H12 O32 Zr6 -","- C96 H48 O128 Zr24 -","4","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.1002","0.0619","","","0.1553","0.1733","","","","","","1.095","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121460","17.809","0.006","17.831","0.006","17.812","0.006","90.031","0.006","90.182","0.006","89.999","0.006","5656","3","100","","100.15","","","","","","","","","4","P -1","-P 1","2","","MOF-801(SC)","","- C48 H24 O81.17 Zr12 -","- C48 H24 O81.1663 Zr12 -","- C96 H48 O162.333 Zr24 -","2","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.6199","","","0.2137","0.1763","","","0.3982","0.4263","","","","","","1.053","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121461","39.222","0.003","26.018","0.002","27.887","0.002","90","","90","","90","","28458","4","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C39.17 H16 N14.5 O38.92 Zr6 -","- C39.1666 H16 N14.5 O38.9166 Zr6 -","- C626.666 H256 N232 O622.666 Zr96 -","16","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0388","0.0382","","","0.1135","0.1157","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121462","17.8736","0.0005","17.8736","","17.8736","","90","","90","","90","","5710","0.16","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C4 H2.04 D1.01 O5.78 Zr -","- C4 H2.03667 D1.013 O5.77633 Zr -","- C96 H48.88 D24.312 O138.632 Zr24 -","24","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","powder diffraction","neutron","2.078","","","","","","","","","0.05931","","1.01","","","","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121463","35.0764","0.001","35.0764","0.001","35.0764","0.001","90","","90","","90","","43156","2","100","","100.15","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C24 H6 O44.35 Zr6 -","- C24 H6 O44.35 Zr6 -","- C384 H96 O709.6 Zr96 -","16","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.0475","0.0396","","","0.1334","0.1431","","","","","","1.126","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121464","17.9309","0.0004","17.9309","0.0004","17.9309","0.0004","90","","90","","90","","5765.1","0.2","150","2","150.15","","","","","","","","","4","P n -3","-P 2ab 2bc 3","201","","","","- C24 H12 O34.7 Zr6 -","- C24 H12 O34.7 Zr6 -","- C96 H48 O138.8 Zr24 -","4","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0437","0.0393","","","0.1367","0.1407","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121465","14.6766","0.0006","14.6766","0.0006","28.0033","0.001","90","","90","","90","","6032","0.4","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C62 H36 O36 Zr6 -","- C62 H32 O35.04 Zr6 -","- C124 H64 O70.08 Zr12 -","2","0.125","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.71073","MoKα","","0.0597","0.0519","","","0.1763","0.1897","","","","","","1.233","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121466","26.8514","0.0007","26.8514","0.0007","26.8514","0.0007","90","","90","","90","","19359.8","0.9","100","","100.15","","","","","","","","","4","F m -3","-F 2 2 3","202","","MOF-806","","- C84 H24 O49.5 Zr6 -","- C84 H24 O49.5 Zr6 -","- C336 H96 O198 Zr24 -","4","0.0416667","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0663","0.0631","","","0.2346","0.2388","","","","","","1.297","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121467","23.9651","0.0011","29.2842","0.0013","17.3545","0.0009","90","","96.301","0.002","90","","12105.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C95 N0.67 O39.67 Zr6 -","- C94.9998 N0.6666 O39.6666 Zr6 -","- C379.999 N2.6664 O158.666 Zr24 -","4","0.5","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0913","0.0732","","","0.2086","0.2288","","","","","","1.084","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121468","10.18","0.0006","11.332","0.0006","14.443","0.0008","92.58","0.004","99.537","0.005","106.924","0.005","1564.26","0.16","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H56 O3 P2 Ru -","- C32 H56 O3 P2 Ru -","- C64 H112 O6 P4 Ru2 -","2","1","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","x-ray","0.71073","MoKα","","0.0528","0.0454","","","0.1054","0.1098","","","","","","1.029","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121469","13.2848","0.0002","13.6995","0.0005","18.5567","0.0003","90","","101.855","0.002","90","","3305.19","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 O4 P2 Ru -","- C33 H57 O4 P2 Ru -","- C132 H228 O16 P8 Ru4 -","4","1","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","x-ray","0.71073","MoKα","","0.1072","0.0948","","","0.2438","0.2564","","","","","","1.031","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121470","12.885","0.005","24.182","0.005","27.632","0.005","64.995","0.005","81.383","0.005","75.589","0.005","7547","4","100","","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H69 B O3 P2 Ru -","- C37 H69 B O3 P2 Ru -","- C296 H552 B8 O24 P16 Ru8 -","8","4","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","","0.71073","MoKα","","0.0426","0.0296","","","0.0658","0.0725","","","","","","1.016","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121471","9.2259","0.0005","10.2376","0.0005","11.1572","0.0006","69.55","0.003","76.935","0.003","84.815","0.003","961.76","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N2 O5 S -","- C18 H26 N2 O5 S -","- C36 H52 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.08","0.0532","","","0.1412","0.1578","","","","","","1.063","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121472","6.062","0.0005","12.0849","0.001","48.626","0.004","90","","90","","90","","3562.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1638","0.0737","","","0.1326","0.1749","","","","","","0.953","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121473","7.3922","0.0005","13.9405","0.0008","34.054","0.002","90","","90","","90","","3509.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1115","0.0554","","","0.1229","0.1669","","","","","","0.986","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121474","9.0914","0.0004","10.2457","0.0005","11.6359","0.0006","90","","92.762","0.003","90","","1082.6","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O5 S -","- C23 H30 N2 O5 S -","- C46 H60 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.0644","0.0476","","","0.1254","0.1515","","","","","","0.761","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121475","13.1014","0.0013","12.7136","0.0011","10.5927","0.001","90","","95.941","0.003","90","","1754.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1187","0.0657","","","0.169","0.2025","","","","","","1.062","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121476","5.0571","0.0002","21.8253","0.0008","15.7019","0.0006","90","","92.918","0.002","90","","1730.81","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","TAF89C","toste97","","- C21 H17 Br F N O -","- C21 H17 Br F N O -","- C84 H68 Br4 F4 N4 O4 -","4","2","","Talbot, Eric P. A.; Fernandes, Talita de A; McKenna, Jeffrey M.; Toste, F. Dean","Asymmetric palladium-catalyzed directed intermolecular fluoroarylation of styrenes.","Journal of the American Chemical Society","2014","136","11","4101","4104","10.1021/ja412881j","","","0.71073","MoKα","","0.0349","0.0291","","","0.0518","0.0531","","","","","","1.014","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121477","14.0952","0.001","10.4443","0.0007","18.2567","0.0012","90","","99.535","0.001","90","","2650.5","0.3","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 Co N P2 Si -","- C23 H46 Co N P2 Si -","- C92 H184 Co4 N4 P8 Si4 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","0.71073","MoKα","","0.023","0.0207","","","0.0538","0.0552","","","","","","1.043","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121478","11.0403","0.0004","33.7265","0.0008","8.0786","0.0002","90","","90","","90","","3008.07","0.15","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C25 H49 B Co N O2 P2 -","- C25 H49 B Co N O2 P2 -","- C100 H196 B4 Co4 N4 O8 P8 -","4","0.5","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","1.54178","CuKα","","0.0409","0.0384","","","0.108","0.1093","","","","","","1.083","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121479","9.0834","0.0003","14.4022","0.0005","18.6785","0.0008","68.213","0.002","88.702","0.003","88.899","0.002","2268.26","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N5 O11 U -","- C46 H46 Cl3 N5 O11 U -","- C92 H92 Cl6 N10 O22 U2 -","2","1","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71073","MoKα","","0.0542","0.0353","","","0.0701","0.0769","","","","","","0.985","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121480","14.1607","0.0009","21.6697","0.0014","16.7388","0.0009","90","","106.766","0.004","90","","4918.1","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H0 N9 O4 S0 -","- C49 H61 N5 O11 S2 -","- C196 H244 N20 O44 S8 -","4","0.5","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71075","MoKα","","0.0605","0.055","","","0.1688","0.1778","","","","","","0.762","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121481","10.0069","0.0002","15.8048","0.0003","16.6019","0.0012","90","","100.695","0.007","90","","2580.1","0.2","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 F N3 O3 Pd S -","- C27 H30 F N3 O3 Pd S -","- C108 H120 F4 N12 O12 Pd4 S4 -","4","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0351","0.0334","","","0.0877","0.0886","","","","","","1.074","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121482","8.1341","0.0001","11.4864","0.0002","13.8266","0.001","83.636","0.006","76.609","0.005","73.151","0.005","1201.44","0.1","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 N3 O2 Pd S -","- C27 H27 N3 O2 Pd S -","- C54 H54 N6 O4 Pd2 S2 -","2","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0285","0.0284","","","0.0694","0.0695","","","","","","1.144","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121483","8.7508","0.0002","13.0966","0.0002","13.8038","0.001","113.119","0.008","90.846","0.006","107.26","0.007","1373.82","0.16","85","2","85","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H30 Cl2 F N3 O2 Pd S -","- C28 H30 Cl2 F N3 O2 Pd S -","- C56 H60 Cl4 F2 N6 O4 Pd2 S2 -","2","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0307","0.0303","","","0.0797","0.0801","","","","","","1.074","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121484","18.4583","0.0015","18.8093","0.0015","26.944","0.002","90","","90","","90","","9354.6","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CS-14145","hartwig33","","- C96 H81 Cl2 Ir2 N O11 P4 -","- C96 H81 Cl2 Ir2 N O11 P4 -","- C384 H324 Cl8 Ir8 N4 O44 P16 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.0485","0.0391","","","0.077","0.0803","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121485","13.3232","0.0007","24.2827","0.0011","15.9879","0.0008","90","","109.445","0.0016","90","","4877.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","hb123","","","- C38 H38 F6 Ir N4 O2 P -","- C38 H38 F6 Ir N4 O2 P -","- C152 H152 F24 Ir4 N16 O8 P4 -","4","2","","Huo, Haohua; Fu, Chen; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Substitutionally Labile yet Stereochemically Stable Chiral-at-Metal Iridium(III) Complex.","Journal of the American Chemical Society","2014","136","8","2990","2993","10.1021/ja4132505","","","0.71073","MoKα","","0.0328","0.0305","","","0.072","0.0728","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121486","4.0955","0.0003","9.3869","0.0006","10.9006","0.0006","92.236","0.003","98.986","0.003","97.468","0.004","409.66","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 Cl2 N3 -","- C7 H5 Cl2 N3 -","- C14 H10 Cl4 N6 -","2","1","","Shannon, D. Alexander; Banerjee, Ranjan; Webster, Elizabeth R.; Bak, Daniel W.; Wang, Chu; Weerapana, Eranthie","Investigating the proteome reactivity and selectivity of aryl halides.","Journal of the American Chemical Society","2014","136","9","3330","3333","10.1021/ja4116204","","","0.71073","MoKα","","0.0359","0.0281","","","0.0688","0.0748","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121487","8.8558","0.0006","10.4095","0.0007","11.3264","0.0007","89.959","0.002","68.696","0.002","68.458","0.002","894.15","0.1","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 I O6 -","- C20 H19 I O6 -","- C40 H38 I2 O12 -","2","1","","Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A","Total synthesis and stereochemical assignment of (±)-sorbiterrin a.","Journal of the American Chemical Society","2014","136","9","3374","3377","10.1021/ja500854q","","","1.54178","CuKα","","0.0442","0.0416","","","0.1051","0.1054","","","","","","1.112","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121488","10.0191","0.0003","10.3912","0.0003","15.5553","0.0005","90","","98.703","0.001","90","","1600.82","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O6 -","- C18.229 H18.068 O5.517 -","- C72.916 H72.272 O22.068 -","4","1","","Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A","Total synthesis and stereochemical assignment of (±)-sorbiterrin a.","Journal of the American Chemical Society","2014","136","9","3374","3377","10.1021/ja500854q","","","1.54178","CuKα","","0.1139","0.1131","","","0.2492","0.2496","","","","","","3.1","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121489","25.87","0.008","8.298","0.003","24.8","0.008","90","","107.769","0.006","90","","5070","3","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H80 Cr N6 -","- C54 H80 Cr N6 -","- C216 H320 Cr4 N24 -","4","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1084","0.0682","","","0.1568","0.1837","","","","","","1.04","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121490","21.584","0.008","25.618","0.009","32.868","0.011","90","","90","","90","","18174","11","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C96 H143 Cr2 N10 O0.5 -","- C96 H143 Cr2 N10 O0.5 -","- C768 H1144 Cr16 N80 O4 -","8","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1098","0.0648","","","0.1438","0.1731","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121491","29.418","0.009","13.005","0.004","27.439","0.013","90","","112.616","0.005","90","","9690","6","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H158 Cr2 N10 O2 -","- C94 H138 Cr2 N10 -","- C376 H552 Cr8 N40 -","4","0.5","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1782","0.0831","","","0.1595","0.1947","","","","","","1.014","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121492","12.724","0.0012","15.622","0.0016","37.4","0.004","90","","99.11","0.02","90","","7340.4","1.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H116 Cr2 N8 -","- C80 H116 Cr2 N8 -","- C320 H464 Cr8 N32 -","4","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1023","0.0738","","","0.1814","0.2285","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121493","13.796","0.007","9.955","0.005","18.18","0.007","90","","129.66","0.02","90","","1922.2","1.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 N6 -","- C42 H68 N6 -","- C84 H136 N12 -","2","0.5","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1435","0.0606","","","0.0919","0.1123","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121494","8.9759","0.001","11.1688","0.0013","12.3629","0.0014","68.596","0.002","69.139","0.002","77.785","0.002","1073.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F N3 O4 S -","- C23 H20 F N3 O4 S -","- C46 H40 F2 N6 O8 S2 -","2","1","","Shang, Ming; Sun, Shang-Zheng; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-Mediated C-H Amidation and Amination of Arenes: Exceptional Compatibility with Heterocycles.","Journal of the American Chemical Society","2014","136","9","3354","3357","10.1021/ja412880r","","","0.71073","MoKα","","0.0637","0.048","","","0.1316","0.1456","","","","","","1.037","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121495","27.175","0.0009","27.175","0.0009","5.2579","0.0002","90","","90","","90","","3882.9","0.2","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C22 H19 Br N O P -","- C22 H19 Br N O P -","- C176 H152 Br8 N8 O8 P8 -","8","1","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.1098","0.077","","","0.1752","0.1901","","","","","","1.058","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121496","19.8739","0.0008","10.2459","0.0005","24.6435","0.0009","90","","96.599","0.003","90","","4984.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N O P Si -","- C25 H27 Br N O P Si -","- C200 H216 Br8 N8 O8 P8 Si8 -","8","4","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","1.54178","CuKα","","0.0999","0.0626","","","0.153","0.1717","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121497","5.3586","0.0005","15.5598","0.0015","21.571","0.002","90","","94.462","0.005","90","","1793.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C88 H80 N4 O4 P4 -","4","2","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.0305","0.0297","","","0.0785","0.0791","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121498","11.5293","0.001","12.2573","0.001","16.7699","0.0014","94.757","0.004","101.488","0.004","115.104","0.004","2065.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 2","","","- C39 H60 Cl N4 P3 Th -","- C39 H60 Cl N4 P3 Th -","- C78 H120 Cl2 N8 P6 Th2 -","2","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0766","0.047","","","0.0666","0.0743","","","","","","1.006","","","","has coordinates","275247","2022-05-09","01:36:16",""
"4121499","13.5354","0.0004","16.0795","0.0003","33.6127","0.0008","95.019","0.001","97.555","0.001","106.033","0.001","6910.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 3","","","- C39 H60 Cl N4 P3 U -","- C39 H60 Cl N4 P3 U -","- C234 H360 Cl6 N24 P18 U6 -","6","3","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.107","0.0547","","","0.0984","0.1109","","","","","","0.927","","","","has coordinates","275247","2022-05-09","01:36:46",""
"4121500","11.2506","0.0014","15.9358","0.0019","29.701","0.004","82.195","0.006","83.056","0.006","83.218","0.006","5208.9","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 4","","","- C46.5 H64 Co N4 O4 P3 Th -","- C46.5 H64 Co N4 O4 P3 Th -","- C186 H256 Co4 N16 O16 P12 Th4 -","4","2","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0659","0.0423","","","0.0715","0.0765","","","","","","1.039","","","","has coordinates","275247","2022-05-09","01:36:48",""
"4121501","23.0608","0.0009","14.0118","0.0006","14.0919","0.0006","90","","90","","90","","4553.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Complex 5","","","- C43 H60 Co N4 O4 P3 U -","- C43 H60 Co N4 O4 P3 U -","- C172 H240 Co4 N16 O16 P12 U4 -","4","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0654","0.0479","","","0.1112","0.1175","","","","","","0.955","","","","has coordinates","275247","2022-05-09","01:37:06",""
"4121502","11.0757","0.0007","14.0911","0.0008","18.714","0.0011","80.318","0.002","74.876","0.002","89.511","0.003","2777.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 6","","","- C42 H60 Co N4 O3 P3 Th -","- C42 H60 Co N4 O3 P3 Th -","- C84 H120 Co2 N8 O6 P6 Th2 -","2","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0357","0.0304","","","0.0716","0.0736","","","","","","1.039","","","","has coordinates","275247","2022-05-09","01:37:09",""
"4121503","14.0553","0.0004","18.7308","0.0005","22.2945","0.0006","73.83","0.001","89.024","0.001","80.541","0.001","5558","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 7","","","- C52.5 H72 Co N4 O3 P3 U -","- C52.5 H72 Co N4 O3 P3 U -","- C210 H288 Co4 N16 O12 P12 U4 -","4","2","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0598","0.0439","","","0.0937","0.0986","","","","","","1.057","","","","has coordinates","275247","2022-05-09","01:37:18",""
"4121504","15.408","0.003","13.224","0.003","20.014","0.004","90","","104.28","0.03","90","","3952","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis-cyclopentadienylruthenium dicarbonyl[C60]fullerene","","","- C74 H10 O4 Ru2 -","- C74 H10 O4 Ru2 -","- C296 H40 O16 Ru8 -","4","1","","Bowles, Faye L.; Olmstead, Marilyn M.; Balch, Alan L.","Preparation and Crystallographic Characterization of C60{η(1)-Ru(CO)2(η(5)-C5H5)}2: A Locally Crowded Organometallic Fullerene Without the Usual η(2)-Bonding.","Journal of the American Chemical Society","2014","136","9","3338","3341","10.1021/ja4120677","","","0.7749","synchrotron","","0.0562","0.051","","","0.1545","0.1581","","","","","","1.148","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121505","9.4299","0.0005","10.1574","0.0005","12.4173","0.0006","90","","91.865","0.007","90","","1188.74","0.1","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br3 O4 -","- C26 H25 Br3 O4 -","- C52 H50 Br6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0328","0.0275","","","0.0539","0.067","","","","","","1.089","","","","has coordinates","275213","2022-05-08","20:58:49",""
"4121506","31.272","0.005","20.035","0.003","9.3941","0.0014","90","","94.822","0.008","90","","5864.9","1.6","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H68 O4 -","- C72 H68 O4 -","- C288 H272 O16 -","4","0.5","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.1817","0.1185","","","0.3363","0.396","","","","","","1.385","","","","has coordinates,has disorder","275199","2022-05-07","03:20:01",""
"4121507","6.4145","0.0003","14.2125","0.0006","15.8067","0.0007","90","","100.228","0.007","90","","1418.14","0.11","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br3 Cl3 O4 -","- C27 H26 Br3 Cl3 O4 -","- C54 H52 Br6 Cl6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0298","0.0258","","","0.0459","0.0484","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121508","16.706","0.0004","10.6702","0.0004","14.0656","0.0004","90","","97.273","0.005","90","","2487.11","0.13","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 N7 -","- C31 H27 N7 -","- C124 H108 N28 -","4","0.5","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0914","0.0563","","","0.1178","0.1305","","","","","","1.029","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121509","11.7399","0.0007","15.2644","0.0009","16.1523","0.001","92.087","0.001","108.693","0.001","104.202","0.001","2637.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H31 F12 N11 O12 Pb2 S4 -","- C40 H31 F12 N11 O12 Pb2 S4 -","- C80 H62 F24 N22 O24 Pb4 S8 -","2","1","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0706","0.0435","","","0.1131","0.1253","","","","","","1.028","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121510","17.9002","0.0002","17.2758","0.0002","28.6959","0.0004","90","","106.539","0.001","90","","8506.78","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 F18 N25 O19 Pb3 S6 -","- C55 H57 F18 N25 O19 Pb3 S6 -","- C220 H228 F72 N100 O76 Pb12 S24 -","4","1","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.142","0.0721","","","0.1583","0.1918","","","","","","1.067","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121511","13.7212","0.0001","16.5853","0.0002","21.4884","0.0002","97.914","0.001","99.687","0.001","91.271","0.001","4769.33","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29.5 F12 N12.5 O12.5 Pb2 S4 -","- C32 H29.5 F12 N12.5 O12.5 Pb2 S4 -","- C128 H118 F48 N50 O50 Pb8 S16 -","4","2","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0829","0.0492","","","0.1148","0.1373","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121512","10.003","","15.818","","17.837","","113.04","","92.89","","105.44","","2465.12","","153","2","153","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","C60CH2SiMe2C6H4EHOdimer_CHCl3","","- C79 H30 Cl3 O Si -","- C79 H30 Cl3 O Si -","- C158 H60 Cl6 O2 Si2 -","2","1","","Abe, Yoko; Tanaka, Hideyuki; Guo, Yunlong; Matsuo, Yutaka; Nakamura, Eiichi","Mobility of long-lived fullerene radical in solid state and nonlinear temperature dependence.","Journal of the American Chemical Society","2014","136","9","3366","3369","10.1021/ja500340f","","x-ray","1.5418","CuKα","","0.2565","0.1366","","","0.3477","0.4407","","","","","","1.078","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121516","9.2666","0.0003","14.3505","0.0005","14.8731","0.0005","82.2","0.002","88.838","0.002","87.538","0.002","1957.51","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 F6 I N2 O6 Rh S2 -","- C36 H36 F6 I N2 O6 Rh S2 -","- C72 H72 F12 I2 N4 O12 Rh2 S4 -","2","1","","Xie, Fang; Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)- and Ir(III)-Catalyzed C-H Alkynylation of Arenes under Chelation Assistance.","Journal of the American Chemical Society","2014","136","12","4780","4787","10.1021/ja501910e","","","0.71073","MoKα","","0.0295","0.0255","","","0.0597","0.0627","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121517","10.8806","0.0004","13.5311","0.0004","20.3845","0.0007","83.2982","0.0019","80.3787","0.0018","68.0669","0.0017","2739.92","0.16","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2 -","- C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2 -","- C112 H108 B4 Cl4 F16 N8 O4 P4 Pt2 S4 -","2","1","","McGuirk, C. Michael; Stern, Charlotte L.; Mirkin, Chad A.","Small molecule regulation of self-association and catalytic activity in a supramolecular coordination complex.","Journal of the American Chemical Society","2014","136","12","4689","4696","10.1021/ja500214r","","","0.71073","MoKα","","0.0641","0.0416","","","0.0884","0.0937","","","","","","0.97","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121518","8.6924","0.0006","8.9976","0.0006","29.0972","0.0018","90","","90","","90","","2275.7","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.0322","0.0299","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121519","13.4034","0.0009","13.4037","0.0009","17.8225","0.0013","89.539","0.005","89.62","0.005","87.393","0.005","3198.4","0.4","110","","110","","","","","","","","","6","P 1","P 1","1","","","","- C30 H46 Br N O5 Si -","- C30 H46 Br N O5 Si -","- C120 H184 Br4 N4 O20 Si4 -","4","4","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","x-ray","1.54178","CuKα","","0.1063","0.0896","","","0.2171","0.2373","","","","","","1.089","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121520","16.6474","0.0007","34.4793","0.0014","19.1312","0.0008","90","","95.85","0.002","90","","10923.9","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 Si -","- C20 H34 O5 Si -","- C400 H680 O100 Si20 -","20","10","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.061","0.0551","","","0.1469","0.1564","","","","","","1.069","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121521","17.5207","0.001","17.5207","0.001","15.1261","0.0018","90","","90","","90","","4643.3","0.7","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C39 H24 Co3 N5 O13 -","- C39 H24 Co3 N5 O13 -","- C156 H96 Co12 N20 O52 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0564","0.046","","","0.13","0.14","","","","","","1.071","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121522","17.5191","0.0012","17.5191","0.0012","15.163","0.002","90","","90","","90","","4653.8","0.8","110","2","110","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C36 H24 Co3 N2 O16 -","- C36 H24 Co3 N2 O16 -","- C144 H96 Co12 N8 O64 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.046","0.0368","","","0.0937","0.0999","","","","","","1.1","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121523","17.5748","0.001","17.5748","0.001","15.2896","0.0018","90","","90","","90","","4722.6","0.7","298","2","298","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C30 H24 Co3 N2 O10 -","- C30 H24 Co3 N2 O10 -","- C120 H96 Co12 N8 O40 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.072","0.0392","","","0.0802","0.0922","","","","","","1.04","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121524","17.5096","0.0004","17.5096","0.0004","15.1902","0.0007","90","","90","","90","","4657.1","0.3","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C36 H38 Co3 N2 O12 -","- C36 H38 Co3 N2 O12 -","- C144 H152 Co12 N8 O48 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0675","0.0637","","","0.1638","0.1662","","","","","","1.138","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121525","17.531","0.0009","17.531","0.0009","15.0883","0.0015","90","","90","","90","","4637.2","0.6","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C42 H36 Co3 N2 O10 -","- C42 H36 Co3 N2 O10 -","- C168 H144 Co12 N8 O40 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0529","0.0502","","","0.1451","0.1483","","","","","","1.117","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121526","39.1799","0.0004","39.1799","0.0004","34.8255","0.001","90","","90","","90","","53459.4","1.7","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C1136 H704 Ir8 N320 O176 Pd12 Ru16 -","8","1","","Li, Kang; Zhang, Lu-Yin; Yan, Cheng; Wei, Shi-Chao; Pan, Mei; Zhang, Li; Su, Cheng-Yong","Stepwise Assembly of Pd6(RuL3)8 Nanoscale Rhombododecahedral Metal-Organic Cages via Metalloligand Strategy for Guest Trapping and Protection.","Journal of the American Chemical Society","2014","136","12","4456","4459","10.1021/ja410044r","","","1.54178","CuKα","","0.1566","0.0872","","","0.1787","0.1977","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121527","8.0386","0.0016","9.6277","0.0019","24.585","0.005","90","","90","","90","","1902.7","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O -","- C20 H23 Br N2 O -","- C80 H92 Br4 N8 O4 -","4","1","","West, Thomas H.; Daniels, David S. B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","An isothiourea-catalyzed asymmetric [2,3]-rearrangement of allylic ammonium ylides.","Journal of the American Chemical Society","2014","136","12","4476","4479","10.1021/ja500758n","","","0.71075","MoKα","","","0.0257","","","","0.0623","","","","","","0.867","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121528","14.4757","0.0004","16.3546","0.0005","16.9708","0.0004","90","","90","","90","","4017.74","0.19","130","2","130","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 Ni2 P4 -","- C34 H64 F6 Ni2 P4 -","- C136 H256 F24 Ni8 P16 -","4","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","0.71073","MoKα","","0.0366","0.0306","","","0.0631","0.0666","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121529","7.5958","0.0006","8.2688","0.0009","9.8593","0.0009","74.385","0.009","72.833","0.008","83.76","0.008","569.53","0.1","125","2","125","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","1","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","1.54184","CuKα","","0.068","0.0611","","","0.1555","0.1639","","","","","","1.055","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121530","6.6172","0.0003","15.1115","0.0007","37.1855","0.0018","90","","90","","90","","3718.4","0.3","83","2","83","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20.5 H19 B N O5.5 -","- C20.5 H19 B N O5.5 -","- C164 H152 B8 N8 O44 -","8","1","","Hirner, Joshua J.; Faizi, Darius J.; Blum, Suzanne A.","Alkoxyboration: Ring-Closing Addition of B-O σ Bonds across Alkynes.","Journal of the American Chemical Society","2014","136","12","4740","4745","10.1021/ja500463p","","","0.71073","MoKα","","0.0516","0.0407","","","0.0942","0.1002","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121531","14.7826","0.0019","18.527","0.002","23.715","0.003","71.071","0.001","77.528","0.002","68.304","0.002","5674.3","1.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H109 N40.5 O54.25 Pd6 -","- C67.5 H84 N40.5 O54.25 Pd6 -","- C135 H168 N81 O108.5 Pd12 -","2","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.1162","0.0831","","","0.2044","0.2238","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121532","24.24","0.004","29.125","0.005","24.225","0.004","90","","91.047","0.002","90","","17100","5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H139.75 N45.5 O72 Pd6 -","- C112 H120 N45.5 O72 Pd6 -","- C448 H480 N182 O288 Pd24 -","4","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.203","0.1058","","","0.2857","0.3327","","","","","","1.274","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121533","20.2126","0.0014","20.2126","0.0014","45.41","0.007","90","","90","","120","","16067","3","90","2","90","2","","","","","","","","5","P 32","P 32","145","","","","- C148 H202.17 N51 O65.5 Pd8 -","- C148 H184 N51 O65.5 Pd8 -","- C444 H552 N153 O196.5 Pd24 -","3","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.2232","0.1362","","","0.3402","0.3944","","","","","","1.253","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121534","8.4589","0.001","10.5591","0.0012","14.9611","0.0018","93.445","0.001","90.969","0.001","101.984","0.001","1304.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Cl P2 Pd -","- C23 H37 Cl P2 Pd -","- C46 H74 Cl2 P4 Pd2 -","2","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0256","0.0229","","","0.0658","0.0698","","","","","","1.093","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121535","8.528","0.0013","10.6211","0.0016","14.706","0.002","96.188","0.002","92.12","0.002","99.815","0.002","1302.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","complex-1b","","","- C23 H37 Cl O P2 Pd -","- C23 H37 Cl O P2 Pd -","- C46 H74 Cl2 O2 P4 Pd2 -","2","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0275","0.024","","","0.0681","0.0721","","","","","","1.067","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121536","8.583","0.007","14.626","0.011","20.535","0.017","90","","101.878","0.01","90","","2523","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex-1c","","","- C22 H35 Cl P2 Pd -","- C22 H35 Cl P2 Pd -","- C88 H140 Cl4 P8 Pd4 -","4","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0708","0.0356","","","0.0823","0.0981","","","","","","0.955","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121537","9.7979","0.0006","9.4064","0.0006","16.2306","0.0009","90","","93.334","0.005","90","","1493.33","0.16","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","complex-1e","","","- C32 H40 P2 Pd -","- C32 H40 P2 Pd -","- C64 H80 P4 Pd2 -","2","0.5","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.048","0.0373","","","0.0861","0.093","","","","","","1.083","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121538","9.7952","0.0005","19.2316","0.0011","12.7047","0.0007","90","","111.795","0.001","90","","2222.2","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Dy N3 O2 -","- C44 H63 Dy N3 O2 -","- C88 H126 Dy2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0464","0.0396","","","0.0853","0.0892","","","","","","1.027","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121539","9.7539","0.0006","19.1763","0.0012","12.7327","0.0008","90","","112.144","0.001","90","","2205.9","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Er N3 O2 -","- C44 H63 Er N3 O2 -","- C88 H126 Er2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0376","0.0336","","","0.0829","0.0879","","","","","","1.048","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121540","9.6818","0.0008","12.2527","0.0011","23.0758","0.0019","90","","90","","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Br P -","- C34 H38 Br P -","- C136 H152 Br4 P4 -","4","1","","Zhu, Ye; Buchwald, Stephen L.","Ligand-Controlled Asymmetric Arylation of Aliphatic α-Amino Anion Equivalents.","Journal of the American Chemical Society","2014","136","12","4500","4503","10.1021/ja501560x","","","0.71073","MoKα","","0.0291","0.0264","","","0.0693","0.0702","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121541","11.135","0.003","12.104","0.003","17.818","0.005","79.078","0.006","81.619","0.006","74.331","0.005","2259","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H47 P3 Ru -","- C48 H47 P3 Ru -","- C96 H94 P6 Ru2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","0.71073","MoKα","","0.0429","0.0347","","","0.0846","0.0872","","","","","","1.047","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121542","14.5577","0.0004","22.5689","0.0007","27.0099","0.0008","90","","90","","90","","8874.1","0.5","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H51 Cl4 P3 Ru -","- C49 H51 Cl4 P3 Ru -","- C392 H408 Cl32 P24 Ru8 -","8","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0289","0.026","","","0.0625","0.0641","","","","","","1.051","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121543","11.4403","0.0003","12.2847","0.0003","17.925","0.0005","79.857","0.002","81.905","0.002","73.982","0.002","2372.19","0.11","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H59 P3 Ru -","- C57 H59 P3 Ru -","- C114 H118 P6 Ru2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0522","0.0439","","","0.1064","0.1111","","","","","","1.061","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121544","12.8172","0.0005","20.1431","0.0008","14.8527","0.0006","90","","92.099","0.001","90","","3832.1","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 P3 Ru -","- C48 H47 P3 Ru -","- C192 H188 P12 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","0.71073","MoKα","","0.048","0.0336","","","0.0741","0.08","","","","","","1.022","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121545","12.443","0.0009","14.9361","0.0011","22.3923","0.0015","90","","99.135","0.003","90","","4108.8","0.5","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 P3 Ru -","- C52 H49 P3 Ru -","- C208 H196 P12 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0353","0.0295","","","0.0724","0.0754","","","","","","1.03","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121546","14.8761","0.0019","17.428","0.002","8.2778","0.001","90","","99.402","0.002","90","","2117.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N2 O2 P -","- C21 H33 N2 O2 P -","- C84 H132 N8 O8 P4 -","4","1","","McCarthy, Sean M.; Lin, Yi-Chun; Devarajan, Deepa; Chang, Ji Woong; Yennawar, Hemant P.; Rioux, Robert M.; Ess, Daniel H.; Radosevich, Alexander T.","Intermolecular N-H Oxidative Addition of Ammonia, Alkylamines, and Arylamines to a Planar σ(3)-Phosphorus Compound via an Entropy-Controlled Electrophilic Mechanism.","Journal of the American Chemical Society","2014","136","12","4640","4650","10.1021/ja412469e","","","0.71073","MoKα","","0.0521","0.0438","","","0.1216","0.1271","","","","","","1.07","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121547","11.183","0.005","16.059","0.008","17.358","0.008","70.642","0.008","88.41","0.009","86.803","0.009","2936","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 F6 Fe N6 O6 S2 -","- C23 H30 F6 Fe N6 O6 S2 -","- C92 H120 F24 Fe4 N24 O24 S8 -","4","2","","Company, Anna; Sabenya, Gerard; González-Béjar, María; Gómez, Laura; Clémancey, Martin; Blondin, Geneviève; Jasniewski, Andrew J.; Puri, Mayank; Browne, Wesley R.; Latour, Jean-Marc; Que, Jr, Lawrence; Costas, Miquel; Pérez-Prieto, Julia; Lloret-Fillol, Julio","Triggering the Generation of an Iron(IV)-Oxo Compound and Its Reactivity toward Sulfides by Ru(II) Photocatalysis.","Journal of the American Chemical Society","2014","136","12","4624","4633","10.1021/ja412059c","","","0.71073","MoKα","","0.077","0.0478","","","0.1227","0.1429","","","","","","0.951","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121548","9.5999","0.0008","13.3486","0.001","17.8637","0.0015","74.605","0.004","82.289","0.005","89.169","0.004","2186.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H46 B N8 O2 S Zn -","- C49 H46 B N8 O2 S Zn -","- C98 H92 B2 N16 O4 S2 Zn2 -","2","1","","Martin, David P.; Blachly, Patrick G.; Marts, Amy R.; Woodruff, Tessa M.; de Oliveira, César A F; McCammon, J. Andrew; Tierney, David L.; Cohen, Seth M.","'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.","Journal of the American Chemical Society","2014","136","14","5400","5406","10.1021/ja500616m","","","0.71073","MoKα","","0.0554","0.0401","","","0.1069","0.1246","","","","","","1.121","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121549","13.5142","0.0007","15.1264","0.0007","19.1617","0.0011","79.351","0.004","79.778","0.004","81.15","0.004","3758.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H102 Mn2 N2 Si2 -","- C86 H102 Mn2 N2 Si2 -","- C172 H204 Mn4 N4 Si4 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1079","0.0623","","","0.1261","0.1518","","","","","","1.057","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121550","12.3698","0.0004","13.9284","0.0005","21.8462","0.0008","75.459","0.002","83.817","0.002","70.909","0.002","3441.6","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H95 Cr Mn N2 Si2 -","- C83 H95 Cr Mn N2 Si2 -","- C166 H190 Cr2 Mn2 N4 Si4 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1","0.0529","","","0.1017","0.1208","","","","","","1.015","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121551","14.0354","0.001","31.639","0.002","14.0529","0.001","90","","105.605","0.002","90","","6010.4","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H81 Mg Mn N3 Si -","- C67 H81 Mg Mn N3 Si -","- C268 H324 Mg4 Mn4 N12 Si4 -","4","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1188","0.0616","","","0.1452","0.1727","","","","","","1.019","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121552","10.2192","0.0004","14.5682","0.0005","23.4367","0.0008","88.295","0.002","89.9","0.002","76.256","0.002","3387.7","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H101 Mg Mn N3 O2 Si -","- C76 H101 Mg Mn N3 O2 Si -","- C152 H202 Mg2 Mn2 N6 O4 Si2 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0811","0.0485","","","0.1045","0.1187","","","","","","1.024","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121553","11.8629","0.0005","12.6271","0.0006","13.637","0.0007","88.34","0.003","87.055","0.003","67.856","0.003","1889.47","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H104 Mn2 N2 O Si2 -","- C88 H104 Mn2 N2 O Si2 -","- C88 H104 Mn2 N2 O Si2 -","1","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0914","0.0499","","","0.0942","0.1096","","","","","","0.999","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121554","11.7629","0.0005","13.3147","0.0005","15.7449","0.0006","80.282","0.002","77.819","0.002","80.593","0.002","2354.85","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H132 Br2 Mn2 N2 O2 Si2 -","- C108 H132 Br2 Mn2 N2 O2 Si2 -","- C108 H132 Br2 Mn2 N2 O2 Si2 -","1","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0596","0.0378","","","0.0758","0.0809","","","","","","0.914","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121555","14.7416","0.0011","16.0335","0.0011","16.1827","0.0014","89.828","0.006","116.83","0.008","94.088","0.006","3402.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H95 Mg Mn N5 Si -","- C74 H95 Mg Mn N5 Si -","- C148 H190 Mg2 Mn2 N10 Si2 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0962","0.0622","","","0.1442","0.1695","","","","","","1.013","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121556","15.7018","0.0006","10.377","0.0003","26.7505","0.0009","90","","106.562","0.003","90","","4177.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H104 Mn2 N2 Si2 -","- C100 H104 Mn2 N2 Si2 -","- C200 H208 Mn4 N4 Si4 -","2","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0545","0.043","","","0.1101","0.1183","","","","","","1.021","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121557","35.8365","0.0017","35.8365","0.0017","35.8365","0.0017","90","","90","","90","","46023","4","296","2","296","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 H92 Na28 O204 P8 W36 -","- Co16 Na18 O204 P8 W36 -","- Co128 Na144 O1632 P64 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0951","0.0789","","","0.244","0.2541","","","","","","1.164","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121558","23.95","0.003","23.95","0.003","23.95","0.003","90","","90","","90","","13738","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 H116 Na32 O216 P4 Si4 W36 -","- Co16 Na18 O216 P4 Si4 W36 -","- Co32 Na36 O432 P8 Si8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0679","0.0516","","","0.1183","0.1267","","","","","","0.904","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121559","35.6715","0.0017","35.6715","0.0017","35.6715","0.0017","90","","90","","90","","45390","4","296","2","296","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 H146 K2 Na30 O231 P4 Si4 W36 -","- Co16 Na18 O230.96 P4 Si4 W36 -","- Co128 Na144 O1847.68 P32 Si32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0737","0.0419","","","0.1198","0.1471","","","","","","0.985","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121560","28.666","0.006","31.619","0.006","26.071","0.005","90","","90","","90","","23631","8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- Co16 H128 Na28 O222 P8 W36 -","- Co16 Na22 O222 P8 W36 -","- Co64 Na88 O888 P32 W144 -","4","0.5","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.135","0.0783","","","0.1568","0.1817","","","","","","1.025","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121561","23.924","0.003","23.924","0.003","23.924","0.003","90","","90","","90","","13693","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 Ge4 H240 Na32 O278 P4 W36 -","- Co16 Ge4 Na32.04 O278 P4 W36 -","- Co32 Ge8 Na64.08 O556 P8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.1558","0.1507","","","0.3676","0.3699","","","","","","1.111","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121562","35.6328","0.0015","35.6328","0.0015","35.6328","0.0015","90","","90","","90","","45243","3","296","2","296","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 Ge4 H114 K2 Na30 O215 P4 W36 -","- Co16 Ge4 Na18 O215 P4 W36 -","- Co128 Ge32 Na144 O1720 P32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0884","0.0541","","","0.1706","0.2019","","","","","","1.097","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121563","35.514","0.004","35.514","0.004","35.514","0.004","90","","90","","90","","44792","9","296","2","296","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","","","","- As4 Co16 H120 Na28 O218 P4 W36 -","- As4 Co16 Na12 O217.96 P4 W36 -","- As32 Co128 Na96 O1743.68 P32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0768","0.0545","","","0.1731","0.1898","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121564","6.7606","0.0004","10.0156","0.0005","54.297","0.003","90","","90","","90","","3676.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-194-2","maimone23","","- C20 H28 O5 -","- C20 H28 O5 -","- C160 H224 O40 -","8","2","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0576","0.0571","","","0.1278","0.1281","","","","","","1.179","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121565","6.4231","0.0005","13.8311","0.0009","20.3077","0.0014","90","","90","","90","","1804.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_54_SPS","maimone15","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0725","0.0714","","","0.1882","0.1901","","","","","","1.104","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4121566","6.4066","0.0003","12.6083","0.0006","22.0227","0.0011","90","","90","","90","","1778.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_NP_1","maimone18","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0392","0.0388","","","0.1028","0.1032","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121567","6.81","0.0003","9.9666","0.0004","27.5837","0.0012","90","","90","","90","","1872.18","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-211-3","maimone24","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0377","0.0364","","","0.0951","0.0963","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121568","7.177","0.003","14.812","0.005","16.726","0.006","90","","99.963","0.006","90","","1751.3","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl Co N -","- C21 H23 Cl Co N -","- C84 H92 Cl4 Co4 N4 -","4","1","","Ikemoto, Hideya; Yoshino, Tatsuhiko; Sakata, Ken; Matsunaga, Shigeki; Kanai, Motomu","Pyrroloindolone Synthesis via a Cp*Co(III)-Catalyzed Redox-Neutral Directed C-H Alkenylation/Annulation Sequence.","Journal of the American Chemical Society","2014","136","14","5424","5431","10.1021/ja5008432","","","0.71075","MoKα","","0.0391","0.0365","","","0.0964","0.0989","","","","","","1.064","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121569","6.1659","0.0002","9.8138","0.0003","18.5821","0.0005","90","","90","","90","","1124.42","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YXY3-45-1","toste92","","- C12 H12 F I O -","- C12 H12 F I O -","- C48 H48 F4 I4 O4 -","4","1","","Yang, Xiaoyu; Phipps, Robert J.; Toste, F. Dean","Asymmetric Fluorination of α-Branched Cyclohexanones Enabled by a Combination of Chiral Anion Phase-Transfer Catalysis and Enamine Catalysis using Protected Amino Acids.","Journal of the American Chemical Society","2014","136","14","5225","5228","10.1021/ja500882x","","","0.71073","MoKα","","0.0153","0.0145","","","0.0276","0.0278","","","","","","1.102","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121570","5.8949","0.0001","15.2807","0.0003","17.2167","0.0012","90","","90","","90","","1550.85","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0258","0.0252","","","0.0621","0.0626","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121571","16.777","0.006","15.082","0.005","15.6","0.006","90","","110.639","0.006","90","","3694","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 F O -","- C24 H23 F O -","- C192 H184 F8 O8 -","8","2","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.112","0.0797","","","0.1624","0.1746","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121572","23.9583","0.0004","5.7432","0.0001","11.8825","0.0008","90","","98.352","0.007","90","","1617.66","0.12","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.044","0.0427","","","0.1153","0.1173","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121573","11.4485","0.0006","5.9142","0.0003","17.0352","0.0008","90","","91.076","0.003","90","","1153.23","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27.58 H23.16 Cl2.16 F O -","- C27.581 H23.162 Cl2.162 F O -","- C55.162 H46.324 Cl4.324 F2 O2 -","2","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.0773","0.0499","","","0.1202","0.129","","","","","","0.957","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121574","5.8612","0.0001","15.7648","0.0003","18.3237","0.0013","90","","90","","90","","1693.12","0.13","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0238","0.0237","","","0.0599","0.06","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121575","10.1024","0.0004","20.0404","0.001","13.0272","0.0005","90","","90","","90","","2637.4","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br N O2 S -","- C8 H6 Br N O2 S -","- C96 H72 Br12 N12 O24 S12 -","12","1.5","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","","0.71073","MoKα","","0.0889","0.074","","","0.2031","0.2136","","","","","","1.076","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121576","20.687","0.002","6.4683","0.0008","15.9083","0.0019","90","","116.05","0.003","90","","1912.4","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0372","","","0.0925","0.1026","","","","","","1.027","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121577","18.878","0.004","18.878","0.004","37.043","0.008","90","","90","","90","","13201","5","100","2","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C115 H76 Al8 O41 -","- C115 H76 Al8 O41 -","- C230 H152 Al16 O82 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","x-ray","0.95403","","","0.1055","0.0887","","","0.2548","0.2736","","","","","","1.168","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121578","19.28","0.001","19.28","0.001","36.03","0.001","90","","90","","90","","13393","1.1","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C216 H60 Al8 O56 -","- C216 H60 Al8 O56 -","- C432 H120 Al16 O112 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","","0.8903","synchrotron","","0.1222","0.1112","","","0.2792","0.2892","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121579","11.6964","0.0003","15.8328","0.0004","11.522","0.0003","90","","90","","90","","2133.72","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cl2 N4 Zn -","- C23 H20 Cl2 N4 Zn -","- C92 H80 Cl8 N16 Zn4 -","4","0.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Marjomäki, Varpu; Rissanen, Kari","Nanomolar Pyrophosphate Detection in Water and in a Self-Assembled Hydrogel of a Simple Terpyridine-Zn(2+) Complex.","Journal of the American Chemical Society","2014","136","15","5543","","10.1021/ja4128949","","","0.71073","MoKα","","0.0355","0.0281","","","0.069","0.0727","","","","","","1.062","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121580","35.078","0.005","8.2392","0.0011","22.64","0.003","90","","115.873","0.009","90","","5887.4","1.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 Br Mn N2 O3.5 -","- C31 H28 Br Mn N2 O3 -","- C248 H224 Br8 Mn8 N16 O24 -","8","1","","Sampson, Matthew D.; Nguyen, An D.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Manganese catalysts with bulky bipyridine ligands for the electrocatalytic reduction of carbon dioxide: eliminating dimerization and altering catalysis.","Journal of the American Chemical Society","2014","136","14","5460","5471","10.1021/ja501252f","","x-ray","0.71073","MoKα","","0.0591","0.0363","","","0.0855","0.0945","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121581","46.116","0.002","46.116","0.002","46.116","0.002","90","","90","","90","","98074","7","298","2","298","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C372 H244 O32 P12 Zr6 -","- C372 O32 P12 Zr6 -","- C1488 O128 P48 Zr24 -","4","0.0833333","","Falkowski, Joseph M.; Sawano, Takahiro; Zhang, Teng; Tsun, Galen; Chen, Yuan; Lockard, Jenny V.; Lin, Wenbin","Privileged phosphine-based metal-organic frameworks for broad-scope asymmetric catalysis.","Journal of the American Chemical Society","2014","136","14","5213","5216","10.1021/ja500090y","","","1.54178","CuKα","","0.1383","0.1026","","","0.2456","0.2594","","","","","","1.375","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121582","16.473","0.005","6.98","0.005","18.804","0.005","90","","105.675","0.005","90","","2081.7","1.7","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 Au F6 N6 P -","- C21 H16 Au F6 N6 P -","- C84 H64 Au4 F24 N24 P4 -","4","1","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0452","0.032","","","0.0703","0.0733","","","","","","0.94","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121583","17.092","0.005","25.52","0.005","13.625","0.005","90","","119.057","0.005","90","","5195","3","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H20 Au F3 N6 O3 S -","- C24 H20 Au F3 N6 O3 S -","- C192 H160 Au8 F24 N48 O24 S8 -","8","2","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0788","0.0544","","","0.1176","0.1246","","","","","","0.98","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121584","43.9022","0.0011","6.7597","0.0002","48.8964","0.0012","90","","90","","90","","14510.8","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(12,13,14,15-tetrahydro-6,9:18,21-diepimino[1,6]diazacycloctadecino[12,13-b]- quinoxalinato]gold(III) hexafluorophosphate(V) mono(acetonitrile) solvate","","- C24 H21 Au F6 N7 P -","- C24 H21 Au F6 N7 P -","- C576 H504 Au24 F144 N168 P24 -","24","6","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","1.54178","CuKα","","0.068","0.052","","","0.1067","0.1131","","","","","","1.055","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121585","7.2176","0.0002","12.8503","0.0004","22.0858","0.0007","90","","90","","90","","2048.42","0.11","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","1","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0302","0.0287","","","0.0727","0.0735","","","","","","1.084","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121586","10.8507","0.0003","16.7356","0.0005","12.566","0.0004","90","","111.077","0.001","90","","2129.23","0.11","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","2","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0296","0.0291","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121587","23.112","0.004","6.9534","0.0013","22.638","0.004","90","","90","","90","","3638.1","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H31 Ca2 O28 P3 -","- C24 H31 Ca2 O28 P3 -","- C96 H124 Ca8 O112 P12 -","4","1","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","","","0.71073","MoKα","","0.1152","0.0721","","","0.1505","0.173","","","","","","1.032","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121588","23.0652","0.0007","6.97311","0.0001","22.4165","0.0007","90","","91.54","0.004","90","","3604.08","0.17","25","","25","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C24 Ca2 O23 P3 -","- C24 Ca2 O23 P3 -","- C96 Ca8 O92 P12 -","4","2","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","powder diffraction","x-ray","0.6202","synchrotron","","","","","","","","0.1347","","7.07","","","","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121589","11.3259","0.001","8.9928","0.0007","22.3705","0.0017","90","","103.775","0.003","90","","2212.9","0.3","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 N O2 -","- C25 H35 N O2 -","- C100 H140 N4 O8 -","4","1","","Martin, David; Canac, Yves; Lavallo, Vincent; Bertrand, Guy","Comparative reactivity of different types of stable cyclic and acyclic mono- and diamino carbenes with simple organic substrates.","Journal of the American Chemical Society","2014","136","13","5023","5030","10.1021/ja412981x","","","0.71073","MoKα","","0.0535","0.0477","","","0.1273","0.135","","","","","","1.024","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121590","4.6255","0.0002","9.9456","0.0002","24.8078","0.0007","98.3891","0.0009","93.4893","0.0012","98.754","0.003","1111.85","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O4 S2 -","- C24 H25 N3 O4 S2 -","- C48 H50 N6 O8 S4 -","2","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0553","0.0422","","","0.1035","0.1103","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121591","21.191","0.004","15.335","0.003","5.0155","0.001","90","","90","","90","","1629.9","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 N2 O5 S2 -","- C18 H12 N2 O5 S2 -","- C72 H48 N8 O20 S8 -","4","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0339","0.0287","","","0.0703","0.0729","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121592","4.4551","0.0009","15.982","0.003","23.91","0.005","90","","90","","90","","1702.4","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H12 N2 O4 S Se2 -","- C18 H12 N2 O4 S Se2 -","- C72 H48 N8 O16 S4 Se8 -","4","0.5","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0659","0.0319","","","0.0684","0.0839","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121593","16.2238","0.0009","14.7598","0.0007","13.5765","0.0007","90","","104.881","0.004","90","","3142","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O10 U2 -","- C29 H31 N5 O10 U2 -","- C116 H124 N20 O40 U8 -","4","1","","McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C.","Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes.","Journal of the American Chemical Society","2014","136","13","4797","4800","10.1021/ja502425t","","","0.71073","MoKα","","0.0781","0.0471","","","0.1018","0.1161","","","","","","1.017","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121594","16.2231","0.0013","15.0073","0.0013","13.9043","0.0012","90","","104.265","0.002","90","","3280.8","0.5","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N7 O12 U2 -","- C25 H25 N7 O12 U2 -","- C100 H100 N28 O48 U8 -","4","1","","McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C.","Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes.","Journal of the American Chemical Society","2014","136","13","4797","4800","10.1021/ja502425t","","","0.71073","MoKα","","0.115","0.0589","","","0.1399","0.18","","","","","","0.913","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121595","10.7899","0.0002","13.6545","0.0003","13.9861","0.0002","80.6099","0.0011","89.009","0.0011","78.5251","0.0012","1992.09","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 F12 N7 P2 Ru -","- C40 H30 F12 N7 P2 Ru -","- C80 H60 F24 N14 P4 Ru2 -","2","1","","Tong, Lianpeng; Zong, Ruifa; Thummel, Randolph P.","Visible light-driven hydrogen evolution from water catalyzed by a molecular cobalt complex.","Journal of the American Chemical Society","2014","136","13","4881","4884","10.1021/ja501257d","","","1.54178","CuKα","","0.0467","0.0416","","","0.1024","0.1058","","","","","","1.052","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121596","13.3374","0.001","24.979","0.002","8.5046","0.0007","90","","99.119","0.004","90","","2797.5","0.4","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 Co N3 O5 -","- C31 H27 Co N3 O5 -","- C124 H108 Co4 N12 O20 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0947","0.0647","","","0.146","0.1659","","","","","","0.944","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121597","12.4892","0.0015","13.6324","0.0015","12.1687","0.0015","90","","90","","90","","2071.8","0.4","228","2","228","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0882","0.0794","","","0.1946","0.1986","","","","","","1.195","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121598","17.4848","0.0008","17.4848","0.0008","20.2126","0.0009","90","","90","","90","","6179.4","0.5","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C48 H36 Co3 N6 O12 -","- C48 H36 Co3 N6 O12 -","- C192 H144 Co12 N24 O48 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.1696","0.1231","","","0.302","0.3268","","","","","","1.074","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121599","12.802","0.0003","34.9232","0.0008","43.7551","0.0009","90","","90","","90","","19562.3","0.8","100","2","100","2","","","","","","","","5","F 2 2 2","F 2 2","22","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C448 H320 Co16 N32 O64 -","16","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0781","0.0706","","","0.2028","0.2108","","","","","","1.103","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121600","11.691","0.0004","21.0101","0.0006","8.5286","0.0002","90","","130.693","0.002","90","","1588.36","0.09","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0364","0.0332","","","0.0787","0.08","","","","","","1.012","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121601","22.625","0.0007","22.625","0.0007","12.7634","0.0005","90","","90","","90","","6533.5","0.4","228","2","228","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.102","0.064","","","0.1224","0.1301","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121602","13.4836","0.0011","24.964","0.002","8.3985","0.0007","90","","98.878","0.003","90","","2793.1","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","0.71073","MoKα","","0.0905","0.0673","","","0.1409","0.1552","","","","","","1.02","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121603","13.1543","0.0008","21.7445","0.0011","8.6774","0.0006","90","","90","","90","","2482","0.3","228","2","228","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C112 H80 Co4 N8 O16 -","4","","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0503","0.042","","","0.1079","0.1123","","","","","","1.051","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121604","22.675","0.003","6.1256","0.0009","16.5599","0.0018","90","","113.194","0.003","90","","2114.2","0.5","173.1","","173.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 N2 O0.5 -","- C10 H21 N2 O0.5 -","- C80 H168 N16 O4 -","8","1","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0563","","","","0.066","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121605","15.671","0.003","5.0499","0.0007","13.9788","0.0019","90","","90.849","0.004","90","","1106.1","0.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 N2 O -","- C10 H22 N2 O -","- C40 H88 N8 O4 -","4","0.5","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0709","","","","0.118","","","","","","1.027","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121606","9.0891","0.0006","9.5888","0.0004","15.541","0.0007","89.728","0.0013","77.932","0.002","66.2153","0.0018","1207.22","0.11","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Ir N3 O4 -","- C26 H32 Ir N3 O4 -","- C52 H64 Ir2 N6 O8 -","2","1","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0253","","","","0.0324","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121607","14.982","0.005","19.899","0.007","28.215","0.01","81.352","0.007","78.546","0.006","69.93","0.007","7713","5","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H162 Au30 S19 -","- C72 H162 Au30 S19 -","- C144 H324 Au60 S38 -","2","1","","Crasto, David; Malola, Sami; Brosofsky, Grace; Dass, Amala; Häkkinen, Hannu","Single Crystal XRD Structure and Theoretical Analysis of the Chiral Au30S(S-t-Bu)18 Cluster.","Journal of the American Chemical Society","2014","136","13","5000","5005","10.1021/ja412141j","","x-ray","0.71073","MoKα","K-L~3~","0.1258","0.059","","","0.1564","0.197","","","","","","1.039","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121608","8.532","0.0009","15.9667","0.0016","17.1115","0.0017","66.743","0.0016","86.597","0.0018","82.032","0.0017","2120.9","0.4","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C62 H133 Cl6 Mg4 O12 P2 Pt2 Si2 -","- C62 H133.162 Cl6 Mg4 O12 P2 Pt2 Si2 -","- C62 H133.162 Cl6 Mg4 O12 P2 Pt2 Si2 -","1","0.5","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.0379","0.0291","","","0.0625","0.0657","","","","","","1.033","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121609","31.918","0.004","31.918","0.004","12.5758","0.0018","90","","90","","90","","12812","3","100","1","100","1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H47 Mg0.5 N O3 P Pt Si -","- C21 H47 Mg0.5 N O3 P Pt Si -","- C336 H752 Mg8 N16 O48 P16 Pt16 Si16 -","16","1","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.1165","0.1103","","","0.236","0.2381","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121610","14.3699","0.0002","18.8611","0.0004","20.751","0.0004","91.3836","0.0017","93.8054","0.0015","100.752","0.0016","5509.44","0.18","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C134 H146 Cl6 O6 -","- C134 H146 Cl6 O6 -","- C268 H292 Cl12 O12 -","2","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.5418","CuKα","","0.1115","0.0964","","","0.2761","0.2967","","","","","","1.169","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121611","12.1545","0.0019","13.507","0.002","19.3873","0.0017","98.703","0.011","95.789","0.01","108.038","0.015","2954.4","0.8","105","7","105","7","","","","","","","","4","P -1","-P 1","2","","","","- C66 H66 O6 S3 -","- C66 H66 O6 S3 -","- C132 H132 O12 S6 -","2","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","0.7107","MoKα","","0.1","0.0734","","","0.1964","0.2162","","","","","","0.946","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121612","10.606","0.0003","17.7693","0.0004","18.5377","0.0005","90","","91.524","0.002","90","","3492.4","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H28.5 Cl4.5 O6 -","- C39 H28.5 Cl4.5 O6 -","- C156 H114 Cl18 O24 -","4","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.54178","","","0.1022","0.0859","","","","0.2642","","","","","","1.052","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121613","12.5229","0.0007","14.2127","0.0008","17.6666","0.0012","88.113","0.005","73.225","0.006","66.912","0.005","2757.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C120 H167.69 O12 -","- C120 H167.69 O12 -","- C120 H167.69 O12 -","1","0.5","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.54178","","","0.0963","0.0755","","","","0.2686","","","","","","1.0385","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121614","9.096","0.003","9.365","0.003","12.93","0.003","91.548","0.008","94.438","0.005","113.836","0.013","1002.4","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6","","","- C48 H46 Cl2 N2 Ti2 -","- C48 H46 Cl2 N2 Ti2 -","- C48 H46 Cl2 N2 Ti2 -","1","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0995","0.0686","","","0.165","0.1969","","","","","","1.104","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121615","8.7094","0.0007","17.3646","0.0013","14.8216","0.0011","90","","91.893","0.003","90","","2240.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","21","","","- C50 H68 Cl2 N2 Ti2 -","- C50 H68 Cl2 N2 Ti2 -","- C100 H136 Cl4 N4 Ti4 -","2","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0918","0.0808","","","0.1748","0.1836","","","","","","1.249","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121616","8.105","0.003","8.507","0.003","14.481","0.006","92.565","0.011","95.849","0.01","95.536","0.01","987.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","11","","","- C17 H28 Cl2 N2 Si Ti -","- C17 H28 Cl2 N2 Si Ti -","- C34 H56 Cl4 N4 Si2 Ti2 -","2","1","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.1951","0.0548","","","0.1125","0.1863","","","","","","0.873","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121617","14.731","0.002","8.3117","0.0009","21.044","0.003","90","","99.65","0.006","90","","2540.2","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","16","","","- C20 H30 Cl6 Ta2 -","- C20 H30 Cl6 Ta2 -","- C80 H120 Cl24 Ta8 -","4","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0845","0.0791","","","0.1756","0.1786","","","","","","1.205","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121618","10.144","0.0007","11.1058","0.0009","34.272","0.003","90","","90","","90","","3861","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe O -","- C17 H12 Fe O -","- C204 H144 Fe12 O12 -","12","3","","Gao, De-Wei; Yin, Qin; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Planar Chiral Ferrocenes via Pd(0)-Catalyzed Intramolecular Direct C-H Bond Arylation.","Journal of the American Chemical Society","2014","136","13","4841","4844","10.1021/ja500444v","","","0.71073","MoKα","","0.038","0.032","","","0.0725","0.075","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121619","7.5652","0.0013","14.8496","0.0019","8.9503","0.0015","90","","100.665","0.006","90","","988.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Wilde, Nathan C.; Isomura, Minetaka; Mendoza, Abraham; Baran, Phil S.","Two-phase synthesis of (-)-taxuyunnanine d.","Journal of the American Chemical Society","2014","136","13","4909","4912","10.1021/ja501782r","","","0.71073","MoKα","","0.0583","0.0467","","","0.0904","0.0966","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121620","10.4088","0.0007","16.205","0.0011","33.6784","0.0019","90","","90","","90","","5680.7","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H77 N5 O9 -","- C62 H77 N5 O9 -","- C248 H308 N20 O36 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0737","0.0555","","","0.1294","0.1407","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121621","13.6896","0.0003","18.8091","0.0004","21.8375","0.0004","90","","90","","90","","5622.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N5 O9.5 -","- C62 H77 N5 O9.5 -","- C248 H308 N20 O38 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0493","0.0485","","","0.1315","0.1326","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121622","17.985","0.003","17.985","0.003","14.597","0.003","90","","90","","90","","4721.5","1.5","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C12 H74 Cd4 Ge12 N8 O71 V14 -","- C12 Cd4 Ge12 N8 O71 V14 -","- C24 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0499","0.0487","","","0.1415","0.1426","","","","","","1.102","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121623","17.682","0.004","17.682","0.004","14.556","0.003","90","","90","","90","","4551","1.7","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C8 H66 Cd4 Ge12 N8 O71 V14 -","- C8 H32 Cd4 Ge12 N8 O71 V14 -","- C16 H64 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0529","0.0523","","","0.1342","0.1347","","","","","","1.092","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121624","33.464","0.004","5.2123","0.0006","16.8968","0.0017","90","","101.711","0.004","90","","2885.9","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Cl N3 O3 S -","- C12 H15 Cl N3 O3 S -","- C96 H120 Cl8 N24 O24 S8 -","8","1","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","x-ray","0.71073","MoKα","","0.0801","0.0518","","","0.1127","0.1285","","","","","","1.072","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121625","8.2053","0.0005","32.8177","0.0019","8.8796","0.0005","90","","92.858","0.003","90","","2388.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 O14 S4 Zn -","- C14 H26 O14 S4 Zn -","- C56 H104 O56 S16 Zn4 -","4","2","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","","0.71073","MoKα","","0.083","0.0598","","","0.1419","0.1536","","","","","","1.025","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121626","8.6479","0.0002","9.9545","0.0004","16.8563","0.0007","90","","90","","90","","1451.08","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P S -","- C16 H19 P S -","- C64 H76 P4 S4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0497","0.04","","","0.0874","0.0924","","","","","","1.029","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121627","9.5656","0.0005","15.6505","0.0009","14.0777","0.0008","90","","96.8115","0.0015","90","","2092.6","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 S2 -","- C24 H20 P2 S2 -","- C96 H80 P8 S8 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0784","0.0487","","","0.1078","0.1237","","","","","","1.123","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121628","12.3208","0.001","35","0.003","10.4586","0.0008","90","","90","","90","","4510","0.6","103","2","103","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48.5 H48 Cl4 N O2 P Pd -","- C48.5 H48 Cl4 N O2 P Pd -","- C194 H192 Cl16 N4 O8 P4 Pd4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0724","0.0597","","","0.1646","0.1782","","","","","","1.12","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121629","5.637","0.0004","18.6216","0.0015","21.6252","0.0016","90","","90","","90","","2270","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O7 -","- C25 H21 Br N2 O7 -","- C100 H84 Br4 N8 O28 -","4","1","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.0584","0.0336","","","0.0615","0.0664","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121630","6.074","0.003","8.408","0.003","24.076","0.011","92.153","0.01","90.801","0.009","92.691","0.012","1227.2","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H29 Br O2 -","- C31 H29 Br O2 -","- C62 H58 Br2 O4 -","2","2","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.1272","0.0624","","","0.0976","0.1139","","","","","","1.014","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121631","7.354","0.003","8.433","0.003","9.291","0.003","71.877","0.007","79.797","0.007","69.628","0.008","511.8","0.3","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","1","1","","Li, Xiabing; Coldham, Iain","Synthesis of 1,1-Disubstituted Tetrahydroisoquinolines by Lithiation and Substitution, with in Situ IR Spectroscopy and Configurational Stability Studies.","Journal of the American Chemical Society","2014","136","15","5551","","10.1021/ja500485f","","","0.71073","MoKα","","0.0442","0.0422","","","0.1039","0.106","","","","","","0.925","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121632","13.8171","0.0004","22.9181","0.0006","26.2263","0.0008","90","","90","","90","","8304.9","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Li2 N10 Si6 U2 -","- C66 H152 Li2 N10 Si6 U2 -","- C264 H608 Li8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.0566","0.0317","","","0.052","0.0578","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121633","14.9841","0.0002","13.84682","0.00015","20.9585","0.0002","90","","104.095","0.0012","90","","4217.59","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H152 N10 Na2 Si6 U2 -","- C66 H152 N10 Na2 Si6 U2 -","- C132 H304 N20 Na4 Si12 U4 -","2","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0241","0.0205","","","0.0483","0.05","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121634","13.81027","0.00012","23.1784","0.0002","26.5707","0.0002","90","","90","","90","","8505.28","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0308","0.026","","","0.0605","0.063","","","","","","1.043","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121635","13.7768","0.0002","23.1164","0.0004","26.8905","0.0005","90","","90","","90","","8563.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 N10 Rb2 Si6 U2 -","- C66 H152 N10 Rb2 Si6 U2 -","- C264 H608 N40 Rb8 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0752","0.0439","","","0.0948","0.1103","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121636","13.8289","0.0005","22.9287","0.0009","27.1901","0.0013","90","","90","","90","","8621.4","0.6","120","","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Cs2 N10 Si6 U2 -","- C66 H152 Cs2 N10 Si6 U2 -","- C264 H608 Cs8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.133","0.1154","","","0.2195","0.2274","","","","","","1.224","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121637","27.1227","0.0004","20.4398","0.0003","24.3891","0.0004","90","","101.169","0.0014","90","","13264.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H116 K N5 O10 Si3 U -","- C53 H116 K N5 O10 Si3 U -","- C424 H928 K8 N40 O80 Si24 U8 -","8","1","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0409","0.0327","","","0.0752","0.0804","","","","","","1.036","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121638","14.1766","0.0012","16.222","0.0016","16.6284","0.0015","69.672","0.003","75.31","0.002","67.503","0.002","3280.7","0.5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C65 H70 B Cl4 F4 Fe2 N O P4 S2 -","- C58 H54 B F4 Fe2 N O P4 S2 -","- C116 H108 B2 F8 Fe4 N2 O2 P8 S4 -","2","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.0402","0.0332","","","0.0863","0.09","","","","","","1.066","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121639","14.4632","0.0004","25.4013","0.0008","17.2705","0.0005","90","","101.627","0.0016","90","","6214.7","0.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H60 B Cl4 F4 Fe2 O2 P4 S2 -","- C57 H50 B F4 Fe2 O2 P4 S2 -","- C228 H200 B4 F16 Fe8 O8 P16 S8 -","4","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.0508","0.0381","","","0.0826","0.0864","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121640","23.5145","0.0016","16.122","0.0011","24.2383","0.0015","90","","117.767","0.004","90","","8130.7","1","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H67 Cl3 F12 Fe4 N2 O6 P6 S4 -","- C69 H66 Cl2 F12 Fe4 N2 O6 P6 S4 -","- C276 H264 Cl8 F48 Fe16 N8 O24 P24 S16 -","4","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.144","0.0677","","","0.1047","0.1259","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121641","11.764","0.008","12.025","0.008","8.446","0.006","90","","90","","90","","1194.8","1.4","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Br2 Cd I2 Rb2 -","- Br2 Cd I2 Rb2 -","- Br8 Cd4 I8 Rb8 -","4","0.5","","Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold.","Journal of the American Chemical Society","2014","136","15","5683","","10.1021/ja412405u","","","0.71073","MoKα","","0.0614","0.0557","","","0.176","0.1819","","","","","","1.103","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121642","16.0584","0.001","16.0584","0.001","19.8205","0.0013","90","","90","","120","","4426.4","0.5","446","2","446","2","","","","","","","","5","R -3 :H","-R 3","148","km26","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0199","0.0177","","","0.0407","0.0414","","","","","","1.058","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121643","16.0669","0.0008","16.0669","0.0008","19.8473","0.001","90","","90","","120","","4437.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km19","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0141","0.0139","","","0.0328","0.0329","","","","","","1.149","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121644","16.0352","0.0009","16.0352","0.0009","19.4744","0.0011","90","","90","","120","","4336.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km23","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0126","0.0123","","","0.0308","0.0309","","","","","","1.072","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121645","16.214","0.009","16.214","0.009","19.624","0.011","90","","90","","120","","4468","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km14","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0235","0.0198","","","0.047","0.0484","","","","","","1.112","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121646","16.0909","0.0008","16.0909","0.0008","19.4144","0.001","90","","90","","120","","4353.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km16","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0137","0.0135","","","0.0322","0.0325","","","","","","1.154","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121647","16.412","0.01","16.412","0.01","19.192","0.011","90","","90","","120","","4477","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","km12","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0179","0.0153","","","0.0363","0.0371","","","","","","1.091","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121648","16.2056","0.0015","16.2056","0.0015","19.9312","0.0018","90","","90","","120","","4533.1","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km21","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0248","0.021","","","0.0513","0.0531","","","","","","1.188","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121649","16.0838","0.001","16.0838","0.001","19.4499","0.0012","90","","90","","120","","4357.4","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","KM37","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0214","0.0201","","","0.0548","0.0556","","","","","","1.094","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121650","16.0538","0.0018","16.0538","0.0018","19.783","0.002","90","","90","","120","","4415.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km25","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0178","0.0162","","","0.0376","0.0382","","","","","","1.089","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121651","16.0584","0.0007","16.0584","0.0007","19.4547","0.0008","90","","90","","120","","4344.7","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km24","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0149","0.0142","","","0.034","0.0343","","","","","","1.074","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121652","16.0883","0.0006","16.0883","0.0006","19.8659","0.0007","90","","90","","120","","4453.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km20","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0216","0.0194","","","0.0428","0.0437","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121653","16.0508","0.0008","16.0508","0.0008","19.82","0.0011","90","","90","","120","","4422.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","KM38","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0294","0.0248","","","0.0586","0.0603","","","","","","1.075","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121654","12.1963","0.0016","6.6666","0.0012","7.014","0.0011","90","","105.85","0.01","90","","548.61","0.15","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 B2 F4 N4 -","- C10 H8 B2 F4 N4 -","- C20 H16 B4 F8 N8 -","2","0.25","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","1.54178","CuKα","","0.0528","0.0508","","","0.1556","0.1578","","","","","","1.276","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4121655","8.9665","0.0005","9.2535","0.0005","9.3048","0.0005","89.782","0.003","82.21","0.003","70.804","0.002","721.69","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 N4 -","- C14 H18 N4 -","- C28 H36 N8 -","2","1","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","0.71073","MoKα","","0.0469","0.0408","","","0.1064","0.1112","","","","","","1.039","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121656","9.1674","0.0003","11.8374","0.0004","7.2745","0.0003","90","","109.091","0.002","90","","746","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 F4 N4 -","- C14 H16 B2 F4 N4 -","- C28 H32 B4 F8 N8 -","2","0.5","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","1.54178","CuKα","","0.0349","0.0325","","","0.0948","0.0969","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121657","5.6372","0.0008","8.3368","0.0012","23.552","0.003","90","","93.317","0.002","90","","1105","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O -","- C27 H23 Br N2 O -","- C54 H46 Br2 N4 O2 -","2","1","","Matthew, Smitha C.; Glasspoole, Ben W.; Eisenberger, Patrick; Crudden, Cathleen M.","Synthesis of enantiomerically enriched triarylmethanes by enantiospecific suzuki-miyaura cross-coupling reactions.","Journal of the American Chemical Society","2014","136","16","5828","5831","10.1021/ja412159g","","","0.71073","MoKα","","0.0429","0.0325","","","0.0635","0.0671","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121658","11.5311","0.0003","11.5311","0.0003","23.9069","0.0011","90","","90","","90","","3178.81","0.19","100","","100","","","","","","","","","4","P 43","P 4cw","78","","LEO-1312-035-F11-13","","- C29 H52 O5 Si2 -","- C29 H52 O5 Si2 -","- C116 H208 O20 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0331","","","0.074","0.0758","","","","","","1.086","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121659","6.8166","0.0001","8.3757","0.0001","15.2655","0.0002","90","","94.829","0.001","90","","868.47","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0288","","","0.0743","0.0749","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121660","6.4228","0.0003","18.912","0.0008","27.416","0.0011","90","","90","","90","","3330.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C132 H184 N8 O36 Si4 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.039","0.0366","","","0.0902","0.0919","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121661","19.623","0.003","19.38","0.002","28.572","0.004","90","","91.685","0.004","90","","10861","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C396 H552 N24 O108 Si12 -","12","6","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.1112","0.0741","","","0.1852","0.201","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121662","7.3627","0.0003","16.7402","0.0006","18.4583","0.0006","90","","90","","90","","2275.04","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O9 -","- C24 H26 N2 O9 -","- C96 H104 N8 O36 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0512","0.0438","","","0.1061","0.1119","","","","","","1.038","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121663","14.3507","0.0003","14.4432","0.0003","14.5134","0.0003","90","","90","","90","","3008.19","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O2 Si2 -","- C27 H48 O2 Si2 -","- C108 H192 O8 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.033","0.0289","","","0.071","0.0737","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121664","13.9788","0.0005","13.9788","0.0005","14.9179","0.0006","90","","90","","120","","2524.52","0.16","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C35 H45 Br O8 -","- C35 H45 Br O8 -","- C105 H135 Br3 O24 -","3","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0353","0.0319","","","0.0749","0.0765","","","","","","1.046","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121665","21.972","0.004","5.2014","0.001","12.991","0.002","90","","117.393","0.003","90","","1318.2","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0273","0.0265","","","0.0681","0.0688","","","","","","1.037","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121666","7.0402","0.0013","8.819","0.0016","20.478","0.004","90","","90","","90","","1271.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0266","0.0264","","","0.0683","0.0684","","","","","","1.018","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121667","6.108","0.007","7.994","0.008","25.1","0.03","90","","90","","90","","1226","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RB1-339","","","- C13 H15 F O4 -","- C13 H15 F O4 -","- C52 H60 F4 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","","","0.0208","0.0206","","","0.0536","0.0538","","","","","","1.096","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121668","4.7285","0.0002","10.6501","0.0004","27.8949","0.0012","90","","90","","90","","1404.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","CuKα","","0.0342","0.0334","","","0.0841","0.0845","","","","","","1.071","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121669","10.0441","0.0015","7.5267","0.0012","13.403","0.002","90","","99.133","0.006","90","","1000.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Ni -","- C13 H14 Ni -","- C52 H56 Ni4 -","4","1","","Baljak, Sladjana; Russell, Andrew D.; Binding, Samantha C.; Haddow, Mairi F.; O'Hare, Dermot; Manners, Ian","Ring-opening polymerization of a strained [3]nickelocenophane: a route to polynickelocenes, a class of s = 1 metallopolymers.","Journal of the American Chemical Society","2014","136","16","5864","5867","10.1021/ja5014745","","","1.54178","CuKα","","0.0307","0.0293","","","0.0771","0.0778","","","","","","1.076","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121670","14.6218","0.0007","14.7718","0.0007","15.8406","0.0008","88.237","0.003","85.557","0.002","66.108","0.002","3118.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 Ni O -","- C38 H46 N2 Ni O -","- C152 H184 N8 Ni4 O4 -","4","2","","Baljak, Sladjana; Russell, Andrew D.; Binding, Samantha C.; Haddow, Mairi F.; O'Hare, Dermot; Manners, Ian","Ring-opening polymerization of a strained [3]nickelocenophane: a route to polynickelocenes, a class of s = 1 metallopolymers.","Journal of the American Chemical Society","2014","136","16","5864","5867","10.1021/ja5014745","","","0.71073","MoKα","","0.0659","0.0444","","","0.1134","0.1243","","","","","","1.067","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121671","10.141","0.004","18.471","0.007","18.792","0.007","90","","100.504","0.007","90","","3461","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 B F15 N -","- C34 H36.6764 B F15 N -","- C136 H146.706 B4 F60 N4 -","4","1","","Lawrence, Elliot J.; Oganesyan, Vasily S.; Hughes, David L.; Ashley, Andrew E.; Wildgoose, Gregory G.","An electrochemical study of frustrated lewis pairs: a metal-free route to hydrogen oxidation.","Journal of the American Chemical Society","2014","136","16","6031","6036","10.1021/ja500477g","","","0.71075","MoKα","","0.0612","0.0535","","","0.1166","0.1214","","","","","","1.128","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121672","14.8682","0.001","15.3817","0.0009","16.0142","0.0011","87.716","0.002","89.078","0.002","61.844","0.002","3226.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H73 B N P3 Ru Si -","- C72 H73 B N P3 Ru Si -","- C144 H146 B2 N2 P6 Ru2 Si2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0973","0.0545","","","0.1093","0.1217","","","","","","0.929","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121673","12.4051","0.0012","13.7162","0.0013","20.534","0.002","72.644","0.005","88.841","0.005","65.196","0.004","3004.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H67 B Ge N P3 Ru -","- C69 H67 B Ge N P3 Ru -","- C138 H134 B2 Ge2 N2 P6 Ru2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0347","0.0292","","","0.0685","0.0706","","","","","","1.061","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121674","12.1371","0.0006","14.68","0.0006","18.6112","0.0009","70.662","0.002","76.209","0.002","68.311","0.002","2881.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H72 B P3 Ru Si -","- C70 H72 B P3 Ru Si -","- C140 H144 B2 P6 Ru2 Si2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0399","0.0323","","","0.0755","0.0798","","","","","","1.049","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121675","24.2555","0.0018","12.5562","0.0009","24.1978","0.0018","90","","95.026","0.002","90","","7341.3","0.9","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F9 Ir N3 O6 S2 -","- C31 H36 F9 Ir N3 O6 S2 -","- C248 H288 F72 Ir8 N24 O48 S16 -","8","2","","Kim, Hyunwoo; Shin, Kwangmin; Chang, Sukbok","Iridium-catalyzed C-h amination with anilines at room temperature: compatibility of iridacycles with external oxidants.","Journal of the American Chemical Society","2014","136","16","5904","5907","10.1021/ja502270y","","","0.71073","MoKα","","0.0586","0.0406","","","0.0937","0.1069","","","","","","1.125","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121676","8.4476","0.0013","10.5579","0.0016","12.962","0.002","81.34","0.004","82.196","0.004","77.787","0.004","1110.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N4 O Rh -","- C23 H23 N4 O Rh -","- C46 H46 N8 O2 Rh2 -","2","1","","Imler, Gregory H.; Zdilla, Michael J.; Wayland, Bradford B.","Equilibrium Thermodynamics To Form a Rhodium Formyl Complex from Reactions of CO and H2: Metal σ Donor Activation of CO.","Journal of the American Chemical Society","2014","136","16","5856","5859","10.1021/ja501173d","","","0.71073","MoKα","","0.0571","0.0393","","","0.0731","0.077","","","","","","0.981","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121677","10.288","0.0005","14.6996","0.0007","15.4572","0.0008","90","","99.506","0.001","90","","2305.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N4 Rh -","- C25 H29 Cl2 N4 Rh -","- C100 H116 Cl8 N16 Rh4 -","4","1","","Imler, Gregory H.; Zdilla, Michael J.; Wayland, Bradford B.","Equilibrium Thermodynamics To Form a Rhodium Formyl Complex from Reactions of CO and H2: Metal σ Donor Activation of CO.","Journal of the American Chemical Society","2014","136","16","5856","5859","10.1021/ja501173d","","","0.71073","MoKα","","0.0376","0.0246","","","0.0554","0.0582","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121678","10.115","0.0018","11.94","0.002","17.117","0.003","87.852","0.003","76.963","0.003","68.835","0.002","1875.9","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","B in manuscript","","","- C40 H56 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C80 H112 Cl2 N2 O2 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0496","0.0354","","","0.086","0.0925","","","","","","1.086","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121679","15.6113","0.0018","13.7775","0.0015","17.341","0.002","90","","91.599","0.002","90","","3728.3","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","B(prime) in manuscript","","","- C40 H56 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C160 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0473","0.0339","","","0.0735","0.0775","","","","","","0.951","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121680","9.3907","0.0003","12.8593","0.0004","16.0266","0.0005","91.686","0.001","105.557","0.001","98.583","0.001","1838.65","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","E in manuscript","","","- C40 H54 Cl N O P2 Ru -","- C40 H54 Cl N O P2 Ru -","- C80 H108 Cl2 N2 O2 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0474","0.0358","","","0.0804","0.0857","","","","","","1.08","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121681","20.1573","0.0016","18.8644","0.0016","23.933","0.0019","90","","108.211","0.003","90","","8644.8","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","F in manuscript","","","- C46 H71 N O P2 Ru -","- C46 H71 N O P2 Ru -","- C368 H568 N8 O8 P16 Ru8 -","8","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0914","0.0607","","","0.1314","0.1439","","","","","","1.066","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121682","11.2357","0.0008","13.8823","0.0009","14.553","0.001","99.648","0.001","106.075","0.001","99.239","0.001","2098.4","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","G in manuscript","","","- C44 H64 N O2 P2 Ru -","- C44 H64 N O2 P2 Ru -","- C88 H128 N2 O4 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.075","0.051","","","0.1116","0.1244","","","","","","1.05","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121683","9.0086","0.0012","8","0.0009","26.351","0.004","90","","92.078","0.004","90","","1897.8","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","leung758s","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Toh, Kah Kah; Biswas, Anup; Wang, Yi-Feng; Tan, Yun Yun; Chiba, Shunsuke","Copper-Mediated Oxidative Transformation of N-Allyl Enamine Carboxylates toward Synthesis of Azaheterocycles.","Journal of the American Chemical Society","2014","136","16","6011","6020","10.1021/ja500382c","","","0.71073","MoKα","","0.0992","0.0519","","","0.1243","0.1703","","","","","","1.03","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121684","8.1157","0.0003","17.0873","0.0007","18.5821","0.0008","90","","91.54","0.002","90","","2575.95","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H35.62 Br1.1 F0.9 N4 Ni -","- C27.472 H35.648 Br1.0872 F0.912 N4 Ni -","- C109.888 H142.592 Br4.3488 F3.648 N16 Ni4 -","4","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.0496","0.0344","","","0.0664","0.0713","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121685","11.2518","0.0005","24.698","0.0011","13.5396","0.0005","90","","106.176","0.003","90","","3613.7","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Br2 F14 N8 Ni2 O3 P2 -","- C68 H96 Br2 F14 N8 Ni2 O3 P2 -","- C136 H192 Br4 F28 N16 Ni4 O6 P4 -","2","0.5","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.0904","0.0455","","","0.088","0.1039","","","","","","1.002","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121686","11.7748","0.0019","15.072","0.003","19.717","0.005","75.795","0.016","77.796","0.011","89.143","0.011","3313","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H81 Cl2 F14 N8 Ni2 O P2 -","- C60 H81 Cl2 F14 N8 Ni2 O P2 -","- C120 H162 Cl4 F28 N16 Ni4 O2 P4 -","2","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.3185","0.1014","","","0.2118","0.3069","","","","","","0.952","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121687","12.544","0.0005","19.6426","0.0007","13.4083","0.0005","90","","100.395","0.002","90","","3249.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 F N4 Ni O -","- C33 H49 F N4 Ni O -","- C132 H196 F4 N16 Ni4 O4 -","4","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.1107","0.085","","","0.2411","0.2575","","","","","","1.102","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121688","9.1591","0.0016","15.697","0.003","12.779","0.002","90","","109.616","0.003","90","","1730.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 N4 P2 Si6 -","- C18 H54 N4 P2 Si6 -","- C36 H108 N8 P4 Si12 -","2","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.0462","0.0373","","","0.0972","0.1047","","","","","","1.017","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121689","20.399","0.009","12.003","0.005","20.446","0.009","90","","117.444","0.007","90","","4443","3","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Cl4 F6 N4 P2 Sb Si6 -","- C20 H58 Cl4 F6 N4 P2 Sb Si6 -","- C80 H232 Cl16 F24 N16 P8 Sb4 Si24 -","4","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1447","0.1064","","","0.2882","0.3355","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121690","34.601","0.006","24.181","0.004","7.6392","0.0013","90","","90","","90","","6391.6","1.9","123","2","123","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C24 H56 N4 P4 -","- C24 H56 N4 P4 -","- C192 H448 N32 P32 -","8","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1898","0.1794","","","0.4648","0.4846","","","","","","1.535","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121691","11.342","0.002","15.121","0.003","19.848","0.004","108.347","0.003","94.619","0.003","104.58","0.003","3079.2","1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H56 Al F36 N4 O4 P4 -","- C40 H56 Al F36 N4 O4 P4 -","- C80 H112 Al2 F72 N8 O8 P8 -","2","1","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1063","0.0757","","","0.2107","0.2502","","","","","","0.974","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121692","18.6895","0.0005","18.6895","0.0005","37.6886","0.0009","90","","90","","120","","11400.8","0.5","100","0.19","100","0.19","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C20 H8 Cu2 N2 O11 -","- C20 H8 Cu2 N2 O11 -","- C180 H72 Cu18 N18 O99 -","9","","","Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Tyagi, Madhusudan; Yildirim, Taner; Zhou, Wei; Chen, Banglin","A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.","Journal of the American Chemical Society","2014","136","17","6207","6210","10.1021/ja501810r","","","0.71073","MoKα","","0.0896","0.0808","","","0.2558","0.2627","","","","","","1.108","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121693","8.0015","0.0008","10.3219","0.001","34.795","0.003","90","","90","","90","","2873.7","0.5","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N O3 -","- C31 H36 N O3 -","- C124 H144 N4 O12 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","x-ray","1.54184","CuKα","","0.1308","0.1074","","","0.275","0.3025","","","","","","1.051","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121694","10.61764","0.00009","18.45055","0.00017","24.5248","0.0002","90","","99.3175","0.0008","90","","4741.05","0.07","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 F6 N2 O10 Pd2 -","- C38 H36 F6 N2 O10 Pd2 -","- C152 H144 F24 N8 O40 Pd8 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","","1.54184","CuKα","","0.0362","0.0339","","","0.0817","0.0829","","","","","","1.05","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121695","15.9571","0.0012","16.2774","0.0013","18.1897","0.0014","72.796","0.003","72.89","0.002","77.158","0.002","4265.9","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C142 H220 Cl30 Cu3 I3 N6 -","- C142 H220 Cl30 Cu3 I3 N6 -","- C142 H220 Cl30 Cu3 I3 N6 -","1","0.5","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","x-ray","0.71073","MoKα","","0.0923","0.0552","","","0.1126","0.1342","","","","","","1.021","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121696","10.567","0.002","10.594","0.002","11.848","0.002","70.38","0.03","74.26","0.03","75.68","0.03","1184.5","0.5","100","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 Cu0.5 N -","- C27 H39 Cu0.5 N -","- C54 H78 Cu N2 -","2","1","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","","0.6199","","","0.0357","0.0329","","","0.0941","0.0965","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121697","9.5174","0.0003","12.0455","0.0003","17.6337","0.0005","86.172","0.002","84.756","0.002","76.646","0.002","1956.49","0.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H70 Cu N2 -","- C44 H70 Cu N2 -","- C88 H140 Cu2 N4 -","2","1","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","","0.71073","MoKα","","0.0379","0.0314","","","0.0795","0.083","","","","","","1.065","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121698","8.2456","0.0001","12.3627","0.0002","12.7774","0.0002","83.0987","0.0006","73.8045","0.0007","72.8974","0.0008","1194.47","0.03","446","2","446.15","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O8 -","- C60 H52 N4 O8 -","- C60 H52 N4 O8 -","1","0.5","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","1.54184","CuKα","","0.0582","0.0534","","","0.1717","0.178","","","","","","1.48","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121699","10.0359","0.0018","10.4992","0.0019","10.888","0.002","81.541","0.002","69.756","0.002","70.441","0.002","1013.6","0.3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O -","- C27 H27 N O -","- C54 H54 N2 O2 -","2","1","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","0.71073","MoKα","","0.0656","0.0426","","","0.098","0.1121","","","","","","1.049","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121700","13.0202","0.0008","10.2694","0.0007","18.7419","0.0012","90","","105.571","0.001","90","","2414","0.3","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O4 -","- C30 H26 N2 O4 -","- C120 H104 N8 O16 -","4","1","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","0.71073","MoKα","","0.0535","0.0405","","","0.093","0.1","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121701","15.3811","0.0003","13.5148","0.0003","19.2527","0.0004","90","","98.9852","0.0007","90","","3953","0.14","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 F3 O4 P2 Pd S -","- C46 H37 F3 O4 P2 Pd S -","- C184 H148 F12 O16 P8 Pd4 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0574","0.0503","","","0.1319","0.1469","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121702","9.7792","0.0003","10.4539","0.0003","11.2183","0.0003","100.735","0.0019","103.186","0.002","111.1","0.0018","995.25","0.05","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.064","0.0511","","","0.1248","0.1357","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121703","8.9334","0.0002","11.2354","0.0002","19.4368","0.0004","90","","90","","90","","1950.88","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O3 S -","- C21 H29 N O3 S -","- C84 H116 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0335","0.0325","","","0.0976","0.0994","","","","","","0.84","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121704","9.2676","0.0004","11.5486","0.0005","15.7879","0.0007","90","","94.439","0.003","90","","1684.68","0.13","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0612","0.0564","","","0.1215","0.1251","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121705","8.8867","0.0018","22.452","0.005","20.673","0.004","90","","93.025","0.004","90","","4119","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N2 Ni P2 -","- C43 H66 N2 Ni P2 -","- C172 H264 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0607","0.0503","","","0.1181","0.1236","","","","","","1.076","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121706","11.3623","0.0016","11.4984","0.0016","30.63","0.004","90","","90","","90","","4001.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H66 Ni P2 -","- C43 H66 Ni P2 -","- C172 H264 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0812","0.0574","","","0.0851","0.0912","","","","","","0.947","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121707","12.7248","0.0017","14.8784","0.0019","39.541","0.005","90","","93.228","0.003","90","","7474.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 B F24 Ni P2 -","- C75 H78 B F24 Ni P2 -","- C300 H312 B4 F96 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0768","0.0504","","","0.1134","0.1225","","","","","","0.915","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121708","24.967","0.004","20.773","0.003","8.083","0.0012","90","","90","","90","","4192.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H60 N2 Ni P2 -","- C47 H60 N2 Ni P2 -","- C188 H240 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.1048","0.0593","","","0.1126","0.1231","","","","","","0.863","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121709","11.0989","0.0018","12.179","0.002","16.802","0.003","89.432","0.003","78.88","0.004","64.572","0.003","2005.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 Ni P2 -","- C47 H60 Ni P2 -","- C94 H120 Ni2 P4 -","2","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0697","0.0486","","","0.1024","0.1073","","","","","","0.907","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121710","11.556","0.004","11.052","0.003","14.829","0.005","90","","108.209","0.006","90","","1799.1","1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 As Cl2 P -","- C18 H22 As Cl2 P -","- C72 H88 As4 Cl8 P4 -","4","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71073","MoKα","","0.0268","0.0241","","","0.0569","0.0587","","","","","","1.042","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121711","16.5","0.004","11.912","0.003","18.07","0.005","90","","113.803","0.005","90","","3249.5","1.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 As P -","- C18 H22 As P -","- C144 H176 As8 P8 -","8","2","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0533","","","","0.1413","","","","","","1.057","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121712","7.519","0.002","8.53","0.002","14.504","0.004","79.9","0.03","81.97","0.03","65.587","0.019","831.6","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 As P -","- C18 H24 As P -","- C36 H48 As2 P2 -","2","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0639","","","","0.1721","","","","","","1.027","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121713","14.244","0.002","14.7481","0.0019","16.041","0.002","82.916","0.006","73.841","0.005","64.684","0.005","2925.8","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 As3 O7 P3 -","- C60 H72 As3 O7 P3 -","- C120 H144 As6 O14 P6 -","2","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0663","","","","0.1184","","","","","","1.021","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121714","23.375","0.003","15.629","0.002","39.905","0.006","90","","106.088","0.003","90","","14007","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H94 As4 O3 P4 -","- C78 H94 As4 O3 P4 -","- C624 H752 As32 O24 P32 -","8","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0388","","","","0.1006","","","","","","0.964","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121715","10.8873","0.0006","14.8827","0.0009","15.9049","0.0009","74.193","0.003","72.57","0.003","74.146","0.002","2313.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 K N O5 P2 -","- C52 H58 K N O5 P2 -","- C104 H116 K2 N2 O10 P4 -","2","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0906","0.0578","","","0.1423","0.1718","","","","","","1.045","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121716","10.8453","0.0007","18.1426","0.0013","26.216","0.0017","90","","93.676","0.004","90","","5147.7","0.6","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 K N O9 P2 -","- C56 H66 K N O9 P2 -","- C224 H264 K4 N4 O36 P8 -","4","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0602","0.0535","","","0.1391","0.1456","","","","","","1.028","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121717","39.5647","0.0019","12.2212","0.0006","24.1733","0.0013","90","","124.594","0.002","90","","9621.9","0.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cl N O P2 Pd -","- C42 H32 Cl N O P2 Pd -","- C336 H256 Cl8 N8 O8 P16 Pd8 -","8","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0727","0.0507","","","0.1313","0.1383","","","","","","1.073","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121718","31.977","0.004","14.9581","0.0017","23.583","0.003","90","","129.495","0.004","90","","8704.6","1.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 K2 N2 O6 P4 Pd -","- C88 H84 K2 N2 O6 P4 Pd -","- C352 H336 K8 N8 O24 P16 Pd4 -","4","0.5","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.2019","0.137","","","0.3553","0.3971","","","","","","1.297","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121719","9.6339","0.0008","10.5744","0.0007","9.9361","0.0009","90","","92.246","0.007","90","","1011.44","0.14","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl-2-(benzyloxy)-4-(2,5-dioxopyrrolidin-1-yl) cyclopentane-1,1-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C40 H46 N2 O14 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","x-ray","1.54186","CuKα","","0.0339","0.0329","","","0.0898","0.0903","","","","","","1.052","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121720","9.4821","0.0009","9.4938","0.0007","14.3422","0.0019","90","","103.497","0.009","90","","1255.4","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl3 Cu1.5 N3 O15 -","- C17 H32 Cl2 Cu N2 O12 -","- C34 H64 Cl4 Cu2 N4 O24 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","","1.54186","CuKα","","0.0476","0.0459","","","0.1254","0.1271","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121721","17.0682","0.0004","16.9409","0.0004","17.307","0.0005","90","","110.952","0.001","90","","4673.4","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 B F4 N5 P2 Rh -","- C47 H46 B F4 N5 P2 Rh -","- C188 H184 B4 F16 N20 P8 Rh4 -","4","1","","Goldfogel, Matthew J.; Roberts, Courtney C.; Meek, Simon J.","Intermolecular Hydroamination of 1,3-Dienes Catalyzed by Bis(phosphine)carbodicarbene-Rhodium Complexes.","Journal of the American Chemical Society","2014","136","17","6227","6230","10.1021/ja502275w","","","1.54178","CuKα","","0.0437","0.0396","","","0.1041","0.1067","","","","","","1.064","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121722","8.634","0.002","11.104","0.002","12.802","0.002","68.825","0.008","86.934","0.012","87.821","0.012","1142.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 B O3 Si -","- C24 H27 B O3 Si -","- C48 H54 B2 O6 Si2 -","2","1","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0966","0.0713","","","0.1454","0.1558","","","","","","1.142","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121723","11.0778","0.0016","15.267","0.002","18.537","0.003","90","","91.017","0.003","90","","3134.6","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B O2 Si2 -","- C37 H33 B O2 Si2 -","- C148 H132 B4 O8 Si8 -","4","1","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0738","0.0604","","","0.1227","0.1275","","","","","","1.192","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121724","10.523","0.005","11.722","0.005","12.562","0.006","90","","94.948","0.005","90","","1543.8","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B2 Fe O6 Si2 -","- C26 H44 B2 Fe O6 Si2 -","- C52 H88 B4 Fe2 O12 Si4 -","2","0.5","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0662","0.0583","","","0.1183","0.1218","","","","","","1.222","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121725","11.861","0.0006","17.618","0.0008","19.368","0.0005","90","","90","","90","","4047.3","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(t-Bu2MeSi)2As=P(2,4,6-t-Bu3-C6H2)","","- C36 H71 As Si3 -","- C36 H71 As Si3 -","- C144 H284 As4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.7107","MoKα","","0.061","0.048","","","0.1234","0.1373","","","","","","1.085","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121726","12.0632","0.0013","17.6672","0.0019","19.301","0.002","90","","90","","90","","4113.5","0.8","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H71 Sb Si3 -","- C36 H71 Sb Si3 -","- C144 H284 Sb4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.71073","MoKα","","0.0341","0.0286","","","0.0625","0.065","","","","","","1.009","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121727","19.0462","0.0004","25.0845","0.0006","19.0686","0.0004","90","","92.458","0.002","90","","9101.9","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44.5 B2 F8 N10.5 O2.5 Ru -","- C42 H44.5 B2 F8 N10.5 O2.5 Ru -","- C336 H356 B16 F64 N84 O20 Ru8 -","8","2","","Ashford, Dennis L.; Lapides, Alexander M.; Vannucci, Aaron K.; Hanson, Kenneth; Torelli, Daniel A.; Harrison, Daniel P.; Templeton, Joseph L.; Meyer, Thomas J.","Water oxidation by an electropolymerized catalyst on derivatized mesoporous metal oxide electrodes.","Journal of the American Chemical Society","2014","136","18","6578","6581","10.1021/ja502464s","","","1.54178","CuKα","","0.1148","0.0687","","","0.166","0.192","","","","","","1.014","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121728","8.3783","0.0005","29.7661","0.0016","18.5467","0.001","90","","90","","90","","4625.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","BJL-Cy","compound-4m","","- C18 H26 O2 -","- C18 H26 O2 -","- C216 H312 O24 -","12","3","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0319","0.0299","","","0.0774","0.0789","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121729","26.6681","0.0008","6.9135","0.0002","18.1388","0.0005","90","","92.539","0.002","90","","3340.97","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","BJL-1","compound-5v","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","1","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0561","0.0446","","","0.108","0.115","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121730","16.3011","0.0003","7.747","0.0001","14.8991","0.0003","90","","101.33","0.001","90","","1844.86","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BJL3","compound-5u","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","0.71073","MoKα","","0.0405","0.0357","","","0.0836","0.0869","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121731","10.334","0.002","11.469","0.003","12.422","0.003","80.86","0.011","78.93","0.012","74.04","0.009","1380.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N7 O9.5 -","- C26 H27 Cl2 Cu N7 O9.5 -","- C52 H54 Cl4 Cu2 N14 O19 -","2","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0537","0.0507","","","0.13","0.1325","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121732","10.629","0.004","11.129","0.005","12.417","0.005","111.368","0.004","96.113","0.006","109.468","0.0015","1245.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl Cu N8 O4 -","- C26 H23 Cl Cu N8 O4 -","- C52 H46 Cl2 Cu2 N16 O8 -","2","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0695","0.061","","","0.123","0.1283","","","","","","1.114","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121733","27.12","0.01","8.463","0.003","26.409","0.009","90","","113.04","0.004","90","","5578","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl Cu N7 O5 -","- C26 H26 Cl Cu N7 O5 -","- C208 H208 Cl8 Cu8 N56 O40 -","8","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0859","0.074","","","0.2099","0.226","","","","","","1.161","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121734","13.0129","0.001","13.9929","0.0011","20.2901","0.0011","88.836","0.005","89.435","0.005","67.668","0.007","3416.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 K O16 Si4 U -","- C48 H108 K O16 Si4 U -","- C96 H216 K2 O32 Si8 U2 -","2","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.1315","0.0791","","","0.1682","0.2036","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121735","13.5351","0.0004","13.6577","0.0004","23.083","0.0007","103.335","0.002","91.577","0.002","118.941","0.003","3584.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H115 K O17 Si4 U -","- C51 H115 K O17 Si4 U -","- C102 H230 K2 O34 Si8 U2 -","2","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.0648","0.0431","","","0.0749","0.0809","","","","","","1.046","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121736","24.8819","0.0009","16.4764","0.0005","46.4053","0.0012","90","","92.983","0.003","90","","18998.7","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.75 H142 K2 O25 Si4 U -","- C69.75 H142 K2 O25 Si4 U -","- C558 H1136 K16 O200 Si32 U8 -","8","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.1468","0.0983","","","0.1447","0.1608","","","","","","1.323","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121737","13.5576","0.0006","13.8032","0.0006","16.9833","0.0007","101.888","0.003","112.316","0.003","98.62","0.003","2784.3","0.2","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ2-η5-13,17-Diethyl-12,18-dimethyldibenzo[b,g]-21,22-dicarbaporphyrinato)-dipalladium(ii)-palladium(iv)","","- C73 H56 Cl3 D N4 Pd3 -","- C73 H57 Cl3 N4 Pd3 -","- C146 H114 Cl6 N8 Pd6 -","2","1","","Abusalim, Deyaa I.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis of an adj-Dicarbaporphyrin and the Formation of an Unprecedented Tripalladium Sandwich Complex.","Journal of the American Chemical Society","2014","136","18","6763","6772","10.1021/ja502795x","","","0.71073","MoKα","","0.1103","0.0648","","","","0.1777","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121738","8.443","0.003","8.444","","18.557","0.006","90","","90","","90","","1323","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N S -","- C14 H17 N S -","- C56 H68 N4 S4 -","4","1","","Zhuo, Chun-Xiang; Zhou, Yong; You, Shu-Li","Highly Regio- and Enantioselective Synthesis of Polysubstituted 2H-Pyrroles via Pd-Catalyzed Intermolecular Asymmetric Allylic Dearomatization of Pyrroles.","Journal of the American Chemical Society","2014","136","18","6590","6593","10.1021/ja5028138","","","0.71073","MoKα","","0.0604","0.0416","","","0.0806","0.0871","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121739","9.814","0.002","5.6952","0.0011","16.213","0.003","90","","101.13","0.03","90","","889.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O -","- C23 H23 N O -","- C46 H46 N2 O2 -","2","1","","He, Ruoyu; Jin, Xiqing; Chen, Hui; Huang, Zhi-Tang; Zheng, Qi-Yu; Wang, Congyang","Mn-catalyzed three-component reactions of imines/nitriles, grignard reagents, and tetrahydrofuran: an expedient access to 1,5-amino/keto alcohols.","Journal of the American Chemical Society","2014","136","18","6558","6561","10.1021/ja503520t","","","0.71073","MoKα","","0.0935","0.0783","","","0.1257","0.133","","","","","","1.164","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121740","12.5099","0.0004","13.121","0.0005","26.2852","0.0008","80.271","0.001","81.917","0.001","88.161","0.001","4210.1","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C89 H80 Cl4 Hg N8 O12 Pb S3 -","- C89 H80 Cl4 Hg N8 O12 Pb S3 -","- C178 H160 Cl8 Hg2 N16 O24 Pb2 S6 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0715","0.0594","","","0.1332","0.1396","","","","","","1.116","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121741","12.73","0.0012","49.192","0.004","13.2149","0.0012","90","","92.641","0.002","90","","8266.6","1.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C342 H284 Cd4 N32 O44 Pb4 S10 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0838","0.0718","","","0.1742","0.1799","","","","","","1.033","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121742","8.47709","0.00009","16.63717","0.00015","11.91527","0.00012","90","","102.79","0.001","90","","1638.77","0.03","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B S2 -","- C19 H17 B S2 -","- C76 H68 B4 S8 -","4","1","","Levine, David R.; Siegler, Maxime A.; Tovar, John D.","Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.","Journal of the American Chemical Society","2014","136","19","7132","7139","10.1021/ja502644e","","","1.5418","CuKα","","0.0305","0.0297","","","0.0791","0.0795","","","","","","1.072","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121743","15.2727","0.0002","8.01478","0.00012","26.8254","0.0004","90","","97.6459","0.0016","90","","3254.43","0.08","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B S2 -","- C19 H17 B S2 -","- C152 H136 B8 S16 -","8","1","","Levine, David R.; Siegler, Maxime A.; Tovar, John D.","Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.","Journal of the American Chemical Society","2014","136","19","7132","7139","10.1021/ja502644e","","","0.71073","MoKα","","0.0402","0.0343","","","0.0923","0.0962","","","","","","1.036","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121744","6.0733","0.001","8.6732","0.0014","9.2019","0.0016","90.852","0.005","108.997","0.005","94.179","0.005","456.71","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 Cl4 N O -","- C6 H3 Cl4 N O -","- C12 H6 Cl8 N2 O2 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0425","0.0348","","","0.0801","0.0846","","","","","","1.058","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121745","7.4893","0.0007","11.3222","0.0011","11.1631","0.001","90","","102.969","0.003","90","","922.43","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl2 O2 -","- C8 H10 Cl2 O2 -","- C32 H40 Cl8 O8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0446","0.032","","","0.0657","0.0702","","","","","","1.019","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121746","9.4966","0.0007","10.2364","0.0009","12.0587","0.0011","90","","104.097","0.003","90","","1136.94","0.17","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H13 Cl2 N O -","- C10 H13 Cl2 N O -","- C40 H52 Cl8 N4 O4 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0393","0.033","","","0.0672","0.0705","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121747","4.8259","0.0005","9.2547","0.0011","44.131","0.005","90","","90","","90","","1971","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EDII140C_B1","","","- C23 H21 Cl O6 -","- C23 H21 Cl O6 -","- C92 H84 Cl4 O24 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0439","0.0399","","","0.089","0.0913","","","","","","1.066","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121748","10.1255","0.0018","6.6412","0.001","10.6229","0.0017","90","","92.713","0.009","90","","713.5","0.2","200","","200","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H20 Cl N3 O2 -","- C11 H20 Cl N3 O2 -","- C22 H40 Cl2 N6 O4 -","2","0.5","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","x-ray","0.71073","MoKα","","0.0915","0.0698","","","0.1654","0.1771","","","","","","1.055","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121749","21.149","0.004","40.631","0.008","3.8885","0.0007","90","","90","","90","","3341.4","1.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C128 H96 Cl32 N32 -","16","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0599","0.0497","","","0.1262","0.1317","","","","","","1.005","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121750","10.9621","0.0011","6.8681","0.0006","9.707","0.001","90","","90","","90","","730.83","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H6 Cl2 O2 -","- C6 H6 Cl2 O2 -","- C24 H24 Cl8 O8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0516","0.0377","","","0.0755","0.0823","","","","","","1.031","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121751","7.4599","0.0004","15.6717","0.0008","10.2844","0.0005","90","","90","","90","","1202.34","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H9 Cl2 N O2 S -","- C11 H9 Cl2 N O2 S -","- C44 H36 Cl8 N4 O8 S4 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.029","0.0259","","","0.0635","0.0656","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121752","6.3756","0.0013","7.0803","0.0016","7.9919","0.0018","63.815","0.006","70.832","0.006","70.159","0.006","297.63","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C12 H8 Cl2 N6 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.037","0.0331","","","0.087","0.0908","","","","","","1.014","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121753","10.1031","0.0007","7.7315","0.0005","18.6457","0.0012","90","","90","","90","","1456.46","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","RR unknown","","","- C7 H8 Cl N O -","- C7 H8 Cl N O -","- C56 H64 Cl8 N8 O8 -","8","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","1.54178","CuKα","","0.0295","0.0291","","","0.0837","0.084","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121754","10.1032","0.0014","8.1016","0.0011","11.0481","0.0016","90","","105.725","0.004","90","","870.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N O2 S -","- C7 H8 Cl N O2 S -","- C28 H32 Cl4 N4 O8 S4 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0369","0.0303","","","0.0763","0.0809","","","","","","1.025","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121755","7.6158","0.0003","8.4994","0.0003","10.1588","0.0004","75.01","0.002","78.014","0.002","73.334","0.002","602.15","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","RR5174","","","- C10 H16 B Cl N2 O2 -","- C10 H16 B Cl N2 O2 -","- C20 H32 B2 Cl2 N4 O4 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0312","0.029","","","0.0758","0.0777","","","","","","1.014","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121756","10.3899","0.0012","20.39","0.002","8.7813","0.001","90","","97.789","0.004","90","","1843.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 N2 -","- C22 H16 Cl2 N2 -","- C88 H64 Cl8 N8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0822","0.0559","","","0.1463","0.1606","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121757","8.8504","0.0011","10.2991","0.0011","10.5406","0.0013","76.153","0.005","72.22","0.005","88.192","0.005","887.41","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","CBMG","","","- C5 H8 Cl N3 O4 -","- C5 H8 Cl N3 O4 -","- C20 H32 Cl4 N12 O16 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0349","0.0303","","","0.0756","0.0786","","","","","","1.02","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121758","13.9499","0.0005","13.1575","0.0004","15.5683","0.0007","90","","104.197","0.002","90","","2770.22","0.18","173","","173","2","","","","","","","Local laboratory","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br I N O5 S -","- C28 H29 Br I N O5 S -","- C112 H116 Br4 I4 N4 O20 S4 -","4","1","","Sokolovs, Igors; Lubriks, Dmitrijs; Suna, Edgars","Copper-Catalyzed Intermolecular C-H Amination of (Hetero)arenes via Transient Unsymmetrical λ(3)-Iodanes.","Journal of the American Chemical Society","2014","136","19","6920","6928","10.1021/ja502174d","","","0.71073","MoKα","","0.124","0.064","","0.128","0.114","0.114","","","1.094","1.133","1.133","1.124","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4121759","22.794","0.003","12.8303","0.0013","18.2081","0.0019","90","","94.293","0.005","90","","5310.1","1","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetrakis(trans-1-(4-pyridyl)-2-phenylethylene-N)-bis (trifluoromethanesulfonate-O)-di-silver(I)","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1032","0.086","","","0.2396","0.2599","","","","","","1.035","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121760","21.768","0.004","13.498","0.003","17.57","0.004","90","","98.24","0.03","90","","5109.2","1.9","190","2","190","2","","","","","","","","7","C 1 2 1","C 2y","5","","bis(mu2-3,4-diphenylcyclobutane-1,2-bis(4-pyridyl)- N,N')-bis(trifluoromethanesulfonate-O)-di-silver(I)","","- C54 H44 Ag2 F6 N4 O6 S2 -","- C53.99 H44 Ag2 F5.97 N4 O5.97 S1.99 -","- C215.96 H176 Ag8 F23.88 N16 O23.88 S7.96 -","4","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1563","0.1291","","","0.2974","0.3166","","","","","","1.114","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121761","7.8206","0.0003","10.9688","0.0004","11.6123","0.0004","79.086","0.002","73.099","0.002","81.272","0.002","930.9","0.06","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F6 N3 P Ru -","- C16 H22 F6 N3 P Ru -","- C32 H44 F12 N6 P2 Ru2 -","2","1","","Zeng, Mingshuo; Li, Le; Herzon, Seth B.","A highly active and air-stable ruthenium complex for the ambient temperature anti-markovnikov reductive hydration of terminal alkynes.","Journal of the American Chemical Society","2014","136","19","7058","7067","10.1021/ja501738a","","","0.71073","MoKα","","0.0313","0.0266","","","0.0589","0.0607","","","","","","1.033","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121762","18.775","0.004","5.2389","0.0011","19.165","0.004","90","","113.833","0.002","90","","1724.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0512","","","","","","1.063","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121763","19.774","0.006","5.1185","0.0015","17.225","0.005","90","","113.152","0.004","90","","1603","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0338","0.0304","","","0.0702","0.0714","","","","","","1.013","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121764","6.1724","0.0004","29.6965","0.0019","21.539","0.0015","90","","95.188","0.003","90","","3931.9","0.5","226","1","226","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]","","","- C18 H24 O6 Rh -","- C18 H24 O6 Rh -","- C144 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki","Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.","Journal of the American Chemical Society","2014","136","19","7026","7037","10.1021/ja5017014","","x-ray","0.7107","MoKα","","0.0694","0.0428","","","0.0989","0.1101","","","","","","1.065","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121765","6.0396","0.0008","29.968","0.004","21.239","0.003","90","","97.449","0.005","90","","3811.7","0.9","162","1","162","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]","","","- C18 H24 O6 Rh -","- C18 H24 O6 Rh -","- C144 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki","Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.","Journal of the American Chemical Society","2014","136","19","7026","7037","10.1021/ja5017014","","x-ray","0.7107","MoKα","","0.096","0.0716","","","0.1249","0.135","","","","","","1.214","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121766","27.8747","0.0004","13.78762","0.00017","45.415","0.0005","90","","90","","90","","17454.2","0.4","90","0.1","90","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.1 H41.53 I6 N14.07 O3.23 Pd S1.8 Zn3 -","- C60.0996 H41.533 I6 N14.0666 O3.2332 Pd S1.8 Zn3 -","- C480.797 H332.264 I48 N112.533 O25.8656 Pd8 S14.4 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0717","0.0616","","","0.1835","0.1917","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121767","27.6775","0.0009","13.7981","0.0003","44.3415","0.0011","90","","90","","90","","16933.9","0.8","90","0.1","90","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C425.6 H299.2 Br8 I48 N116.8 Pd8 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.1865","0.1278","","","0.3569","0.387","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121768","27.5504","0.0003","13.8353","0.00019","44.5398","0.0006","90","","90","","90","","16977.1","0.4","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C417.2 H268 Br8 I48 N103.6 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0894","0.0825","","","0.2713","0.2791","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121769","27.774","0.003","13.8933","0.0016","44.585","0.005","90","","90","","90","","17204","3","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.19 H44.78 I6 N15.59 O Pd S2 Zn3 -","- C60.1859 H44.7804 I6 N15.5938 O0.9999 Pd0.9999 S1.9998 Zn3 -","- C481.487 H358.243 I48 N124.75 O7.9992 Pd7.9992 S15.9984 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.113","0.0754","","","0.1915","0.2142","","","","","","0.874","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121770","11.322","0.002","12.875","0.003","24.184","0.005","90","","103.12","0.03","90","","3433.3","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 Cl F3 N2 O4 P2 Re S -","- C25 H53 Cl F3 N2 O4 P2 Re S -","- C100 H212 Cl4 F12 N8 O16 P8 Re4 S4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.039","0.0236","","","0.0465","0.0532","","","","","","1.106","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121771","15.1843","0.0012","12.3918","0.0009","27.434","0.002","90","","90","","90","","5162","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H45 Cl2 N2 P2 Re -","- C20 H45 Cl2 N2 P2 Re -","- C160 H360 Cl16 N16 P16 Re8 -","8","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0604","0.0329","","","0.0518","0.0593","","","","","","1.05","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121772","12.1991","0.0013","12.3901","0.0014","16.5297","0.0018","90","","90","","90","","2498.4","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Cl2 N P2 Re -","- C20 H44 Cl2 N P2 Re -","- C80 H176 Cl8 N4 P8 Re4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0405","0.038","","","0.0935","0.0966","","","","","","1.137","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121773","8.9323","0.001","7.2047","0.0008","11.5363","0.0013","90","","98.516","0.004","90","","734.23","0.14","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0846","0.0466","","","0.1054","0.124","","","","","","1.01","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121774","13.7112","0.0014","7.8902","0.0008","14.7754","0.0014","90","","105.614","0.003","90","","1539.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0977","0.0508","","","0.1159","0.144","","","","","","1.02","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121775","40.77","0.002","8.0162","0.0005","12.5151","0.0009","90","","96.608","0.003","90","","4063","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C176 H232 N8 O40 -","8","1","","Morcillo, Sara P.; Miguel, Delia; Resa, Sandra; Martín-Lasanta, Ana; Millán, Alba; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M; Mota, Antonio J.; Justicia, José; Cuerva, Juan M.","Ti(III)-Catalyzed Cyclizations of Ketoepoxypolyprenes: Control over the Number of Rings and Unexpected Stereoselectivities.","Journal of the American Chemical Society","2014","136","19","6943","6951","10.1021/ja411942h","","","1.54178","CuKα","","0.0896","0.058","","","0.1202","0.1312","","","","","","1.056","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121776","8.2456","0.0006","10.624","0.0007","19.2156","0.001","82.08","0.005","86.182","0.005","79.073","0.006","1635.61","0.19","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 Ir O2 P2 Si -","- C30 H51 Ir O2 P2 Si -","- C60 H102 Ir2 O4 P4 Si2 -","2","1","","Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin","Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.","Journal of the American Chemical Society","2014","136","19","6912","6915","10.1021/ja503254f","","x-ray","1.54184","CuKα","","0.0503","0.0469","","","0.1135","0.1177","","","","","","1.054","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121777","8.2047","0.0004","11.0592","0.0005","18.8425","0.0009","88.45","0.004","78.995","0.004","68.363","0.004","1558.26","0.14","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H55 Ir O2 P2 Si -","- C28 H55 Ir O2 P2 Si -","- C56 H110 Ir2 O4 P4 Si2 -","2","1","","Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin","Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.","Journal of the American Chemical Society","2014","136","19","6912","6915","10.1021/ja503254f","","x-ray","1.54184","CuKα","","0.0875","0.0838","","","0.2125","0.2148","","","","","","1.193","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121778","16.7516","0.0017","9.7376","0.0011","11.798","0.0012","90","","118.328","0.002","90","","1694","0.3","90","","90","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H22 Cu2 F4 N2 O8 -","- C33 H22 Cu2 F4 N2 O8 -","- C66 H44 Cu4 F8 N4 O16 -","2","0.25","","Takasaki, Yuichi; Takamizawa, Satoshi","Gas permeation in a molecular crystal and space expansion.","Journal of the American Chemical Society","2014","136","19","6806","6809","10.1021/ja501045u","","","0.71073","MoKα","","0.061","0.0463","","","0.1318","0.1466","","","","","","1.123","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121779","10.4495","0.0017","12.662","0.002","17.918","0.003","84.349","0.002","79.418","0.002","65.712","0.002","2123.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H63 N3 O6 -","- C45 H63 N3 O6 -","- C90 H126 N6 O12 -","2","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1703","0.1049","","","0.2833","0.3297","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121780","19.87","0.016","22.96","0.015","48.42","0.04","90","","96.63","0.03","90","","21942","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H170 N16 O17 Zn2 -","- C73 H79 N3 O14 Zn2 -","- C584 H632 N24 O112 Zn16 -","8","2","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","1.54178","CuKα","","0.1125","0.1038","","","0.2963","0.3056","","","","","","1.256","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121781","21.336","0.003","23.766","0.004","15.808","0.003","90","","101.568","0.002","90","","7853","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H93 N9 O16 Zn2 -","- C73 H79 N7 O14 Zn2 -","- C292 H316 N28 O56 Zn8 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1612","0.0971","","","0.215","0.2551","","","","","","1.002","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121782","29.335","0.006","29.335","0.006","41.358","0.01","90","","90","","90","","35590","13","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Co24 O126 S24 -","- C360 H328 Co24 O126 S24 -","- C720 H656 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1917","0.1391","","","0.347","0.3755","","","","","","1.121","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121783","29.2376","0.0018","29.2376","0.0018","42.213","0.005","90","","90","","90","","36085","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Ni24 O126 S24 -","- C432 H512 Ni24 O126 S24 -","- C864 H1024 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1203","0.1074","","","0.3241","0.3423","","","","","","1.538","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121784","40.715","0.002","40.715","0.002","80.041","0.008","90","","90","","120","","114908","14","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Ni24 O126 S24 -","- C336 H312 Ni24 O126 S24 -","- C2016 H1872 Ni144 O756 S144 -","6","0.333333","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.2099","0.1564","","","0.4164","0.4916","","","","","","1.032","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121785","28.618","0.002","28.618","0.002","41.216","0.006","90","","90","","90","","33755","6","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H324 Co24 O126 S24 -","- C336 H312 Co24 O126 S24 -","- C672 H624 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1709","0.1496","","","0.3957","0.431","","","","","","1.59","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121786","29.6397","0.0016","29.6397","0.0016","42.389","0.004","90","","90","","90","","37239","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Mg24 O126 S24 -","- C432 H504 Mg24 O126 S24 -","- C864 H1008 Mg48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1425","0.1341","","","0.4214","0.4411","","","","","","1.095","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121787","29.335","0.005","29.335","0.005","41.486","0.002","90","","90","","90","","35700","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Ni24 O126 S24 -","- C360 H296 Ni24 O126 S24 -","- C720 H592 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.135","0.0957","","","0.2529","0.2774","","","","","","1.042","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121788","29.5252","0.0014","29.5252","0.0014","42.576","0.004","90","","90","","90","","37115","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Co24 O126 S24 -","- C432 H504 Co24 O126 S24 -","- C864 H1008 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1161","0.101","","","0.3149","0.3355","","","","","","1.236","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121789","10.3696","0.0006","15.7167","0.0007","23.6257","0.0011","90","","90","","90","","3850.4","0.3","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H26 Br2 F6 N2 Ni -","- C46 H26 Br2 F6 N2 Ni -","- C184 H104 Br8 F24 N8 Ni4 -","4","0.5","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0795","0.0625","","","0.1704","0.1835","","","","","","1.073","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121790","11.5011","0.0006","17.3566","0.0008","22.7205","0.001","86.209","0.002","85.802","0.002","85.61","0.002","4501.7","0.4","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H26 Br2 Cl2 F12 N2 Ni -","- C49 H26 Br2 Cl2 F12 N2 Ni -","- C196 H104 Br8 Cl8 F48 N8 Ni4 -","4","2","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0872","0.0412","","","0.076","0.0889","","","","","","1.054","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121791","10.936","0.005","12.8","0.03","17.594","0.01","72.65","0.06","80.27","0.07","85.76","0.02","2316","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","1","0.5","","Dalle, Kristian E.; Gruene, Tim; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Weakly Coupled Biologically Relevant Cu(II)2(μ-η(1):η(1)-O2) cis-Peroxo Adduct that Binds Side-On to Additional Metal Ions.","Journal of the American Chemical Society","2014","136","20","7428","7434","10.1021/ja5025047","","","0.82657","synchrotron","","0.0969","0.0881","","","0.2509","0.2601","","","","","","0.991","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121792","10.9645","0.001","12.7788","0.0012","17.545","0.0014","72.769","0.007","80.175","0.007","84.956","0.007","2311.7","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","1","0.5","","Dalle, Kristian E.; Gruene, Tim; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Weakly Coupled Biologically Relevant Cu(II)2(μ-η(1):η(1)-O2) cis-Peroxo Adduct that Binds Side-On to Additional Metal Ions.","Journal of the American Chemical Society","2014","136","20","7428","7434","10.1021/ja5025047","","","0.71073","MoKα","","0.1254","0.0773","","","0.1866","0.2096","","","","","","1.051","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121793","22.0888","0.0005","23.581","0.0005","40.2916","0.001","80.4182","0.0018","78.457","0.002","89.1904","0.0018","20271.6","0.8","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C333 H210.5 Au16 Cu32 F101.5 O P4 S34 -","- C332 H211.5 Au16 Cu32 F100.5 P4 S34 -","- C664 H423 Au32 Cu64 F201 P8 S68 -","2","1","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1622","0.1197","","","0.3292","0.3694","","","","","","1.278","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121794","20.7601","0.0007","23.6955","0.0007","23.7758","0.0007","108.611","0.003","105.491","0.003","107.174","0.003","9710.3","0.7","100.01","0.1","173.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C290 H272 Au14 Cl4 Cu32 F96 N4 O6 S32 -","- C288 H272 Au14 Cu32 F96 N4 S32 -","- C288 H272 Au14 Cu32 F96 N4 S32 -","1","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1044","0.0834","","","0.2483","0.2785","","","","","","1.094","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121795","21.8379","0.0008","21.0323","0.0011","43.031","0.002","90","","97.456","0.004","90","","19597.1","1.6","100","0.1","100","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C332 H314 Au18 Cl7 Cu32 F108 N4 S36 -","- C316 H286 Au18 Cu32 F108 N4 S36 -","- C632 H572 Au36 Cu64 F216 N8 S72 -","2","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1109","0.0889","","","0.2447","0.2637","","","","","","1.071","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121796","18.0621","0.0008","19.5128","0.0009","20.8568","0.001","63.599","0.005","82.266","0.004","80.078","0.004","6471.7","0.6","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C238 H164 Au13 Cl4 Cu12 F60 O4 P4 S20 -","- C236.638 H156.85 Au13 Cu12 F61.034 P4 S20 -","- C236.638 H156.85 Au13 Cu12 F61.034 P4 S20 -","1","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.0579","0.0499","","","0.1485","0.156","","","","","","1.101","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121797","25.9452","0.001","23.5533","0.0006","30.3915","0.0008","90","","95.45","0.003","90","","18488.1","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C342 H284 Au12 Cu32 F90 P4 S30 -","- C306 H200 Au12 Cu32 F90 P4 S30 -","- C612 H400 Au24 Cu64 F180 P8 S60 -","2","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.54184","CuKα","","0.1232","0.0956","","","0.2476","0.2857","","","","","","0.972","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121798","16.69","0.002","17.558","0.002","24.517","0.003","90","","90","","90","","7184.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C66 H74 Cu4 N16 O15 -","- C66 H66 Cu4 N16 O15 -","- C264 H264 Cu16 N64 O60 -","4","1","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.1846","0.0917","","","0.2086","0.2587","","","","","","0.992","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121799","8.9723","0.0002","16.1009","0.0004","11.4418","0.0003","90","","105.978","0.002","90","","1589.05","0.07","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[NMe_4] [L_2 Cu_2 (μ-OH)]","","","- C32.76 H27 Cu2 N8.38 O6.62 -","- C32.372 H27 Cu2 N8.186 O6.816 -","- C64.744 H54 Cu4 N16.372 O13.632 -","2","0.5","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.0888","0.0701","","","0.195","0.2107","","","","","","1.082","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121800","14.5216","0.0007","14.5216","0.0007","15.9314","0.0011","90","","90","","90","","3359.6","0.3","123","2","123","2","","","","","","","","5","I -4 2 m","I -4 2","121","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C52 H28 Cu4 N12 O9 -","- C52 H28 Cu4 N12 O9 -","- C104 H56 Cu8 N24 O18 -","2","0.125","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","1.54178","CuKα","","0.0427","0.0379","","","0.1052","0.1094","","","","","","1.095","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121810","20.562","0.004","12.0606","0.0002","24.4409","0.0017","90","","113.824","0.008","90","","5544.6","1.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H79 Cl N4 Pd2 -","- C58 H79 Cl N4 Pd2 -","- C232 H316 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats","Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.","Journal of the American Chemical Society","2014","136","20","7300","7316","10.1021/ja412565c","","","1.54178","CuKα","","0.0349","0.0349","","","0.0821","0.0821","","","","","","1.207","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121811","12.1146","0.0002","24.5603","0.0004","20.2741","0.0014","90","","103.307","0.007","90","","5870.4","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H81 Cl N4 Pd2 -","- C63 H81 Cl N4 Pd2 -","- C252 H324 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats","Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.","Journal of the American Chemical Society","2014","136","20","7300","7316","10.1021/ja412565c","","","1.54187","CuKα","","0.0677","0.0591","","","0.1542","0.1603","","","","","","1.081","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121812","8.218","0.0016","9.691","0.0019","18.377","0.004","101.24","0.03","92.31","0.03","110.51","0.03","1335.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Ca Cl2 N2 O15 -","- C18 H30 Ca Cl2 N2 O15 -","- C36 H60 Ca2 Cl4 N4 O30 -","2","1","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71073","Synchrotron","","0.0914","0.0766","","","0.1918","0.2033","","","","","","1.031","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121813","14.429","0.003","28.69","0.006","8.52","0.0017","90","","90","","90","","3527","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H52 N4 O10 -","- C36 H52 N4 O10 -","- C144 H208 N16 O40 -","4","0.5","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71085","Synchrotron","","0.0551","0.0519","","","0.1323","0.1354","","","","","","1.064","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121814","25.2432","0.0006","25.2432","0.0006","11.6336","0.0003","90","","90","","120","","6420","0.3","100","0.2","100","0.2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O14 Zn4 -","- C84 H54 O13.9999 Zn4 -","- C168 H108 O27.9998 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0819","0.0723","","","0.1986","0.2077","","","","","","1.108","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121815","25.2435","0.0014","25.2435","0.0014","11.6675","0.0006","90","","90","","120","","6438.8","0.6","100","0.2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O13 Zn4 -","- C84 H54 O13 Zn4 -","- C168 H108 O26 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.1327","0.0949","","","0.24","0.2752","","","","","","0.923","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121816","9.8296","0.0004","12.6283","0.0006","18.9578","0.0008","71.769","0.004","86.991","0.004","88.723","0.004","2232","0.18","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","2","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0508","0.0397","","","0.1019","0.1081","","","","","","1.074","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121817","11.7625","0.0003","12.8916","0.0003","18.7532","0.0004","97.595","0.002","106.386","0.001","95.691","0.002","2676.27","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H78 Si2 -","- C64 H78 Si2 -","- C128 H156 Si4 -","2","1","","Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.","Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.","Journal of the American Chemical Society","2014","136","26","9248","9251","10.1021/ja503643s","","","1.54178","CuKα","","0.0881","0.0521","","","0.1407","0.1608","","","","","","1.034","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121818","8.9841","0.0011","9.7368","0.0016","13.51","0.002","75.34","0.014","70.337","0.013","90.051","0.014","1071.8","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C54 H58 Si2 -","1","0.5","","Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.","Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.","Journal of the American Chemical Society","2014","136","26","9248","9251","10.1021/ja503643s","","","1.54178","CuKα","","0.132","0.1053","","","0.2322","0.2496","","","","","","1.083","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121819","10.8998","0.0011","12.7903","0.0013","30.046","0.003","90","","94.529","0.005","90","","4175.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Fe N O4 P2 S3 -","- C44 H44 Fe N O4 P2 S3 -","- C176 H176 Fe4 N4 O16 P8 S12 -","4","1","","Fitzpatrick, Jessica; Kalyvas, Harris; Filipovic, Milos R.; Ivanović-Burmazović, Ivana; MacDonald, John C.; Shearer, Jason; Kim, Eunsuk","Transformation of a Mononitrosyl Iron Complex to a [2Fe-2S] Cluster by a Cysteine Analogue.","Journal of the American Chemical Society","2014","136","20","7229","7232","10.1021/ja5024207","","","0.71073","MoKα","","0.081","0.0469","","","0.1116","0.1314","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121820","8.0616","0.0006","10.096","0.0009","10.8105","0.001","112.019","0.009","99.514","0.007","101.435","0.007","771.2","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C34 H30 B2 F4 O8 -","2","1","","Galer, Petra; Korošec, Romana C; Vidmar, Maja; Sket, Boris","Crystal Structures and Emission Properties of the BF2 Complex 1-Phenyl-3-(3,5-dimethoxyphenyl)-propane-1,3-dione: Multiple Chromisms, Aggregation- or Crystallization-Induced Emission, and the Self-Assembly Effect.","Journal of the American Chemical Society","2014","136","20","7383","7394","10.1021/ja501977a","","","0.71073","MoKα","","0.1911","0.0768","","","0.1482","0.1982","","","","","","1.022","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121821","7.4698","0.0002","7.484","0.0003","14.4041","0.0005","75.349","0.002","88.759","0.002","85.077","0.002","776.19","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C34 H30 B2 F4 O8 -","2","1","","Galer, Petra; Korošec, Romana C; Vidmar, Maja; Sket, Boris","Crystal Structures and Emission Properties of the BF2 Complex 1-Phenyl-3-(3,5-dimethoxyphenyl)-propane-1,3-dione: Multiple Chromisms, Aggregation- or Crystallization-Induced Emission, and the Self-Assembly Effect.","Journal of the American Chemical Society","2014","136","20","7383","7394","10.1021/ja501977a","","","0.71073","MoKα","","0.076","0.0548","","","0.1441","0.1734","","","","","","1.119","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121822","14.763","0.005","14.763","0.005","14.763","0.005","90","0.005","90","0.005","90","0.005","3217.5","1.9","10","","10","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.701 Si34 -","- Na30.804 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","","0.71069","MoKα","","0.0391","0.0373","","","0.0813","0.0826","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121823","14.7679","0.0003","14.7679","0.0003","14.7679","0.0003","90","","90","","90","","3220.74","0.11","90","","90","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.57 Si34 -","- Na30.28 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0422","0.0345","","","0.0791","0.0873","","","","","","1.137","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121824","10.2004","0.0004","10.2004","0.0004","10.2004","0.0004","90","","90","","90","","1061.33","0.07","293","","293","","","","","","","","synthesis as described","2","P m -3 n","-P 4n 2 3","223","","","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0316","0.0282","","","0.0755","0.0781","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121825","14.6469","0.0007","14.6469","0.0007","14.6469","0.0007","90","","90","","90","","3142.2","0.3","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na1.4 Si34 -","- Na1.636 Si34 -","- Na6.544 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0214","0.0208","","","0.0546","0.0549","","","","","","1.241","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121826","14.7956","0.0012","14.7956","0.0012","14.7956","0.0012","90","","90","","90","","3238.9","0.5","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na7.5 Si34 -","- Na7.416 Si34 -","- Na29.664 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0132","0.0132","","","0.0374","0.0374","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121827","14.756","0.001","14.756","0.001","14.756","0.001","90","","90","","90","","3213","0.4","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na6.13 Si34 -","- Na6.124 Si34 -","- Na24.496 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0419","0.0418","","","0.1013","0.1015","","","","","","1.263","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121828","11.5478","0.0004","8.2653","0.0003","19.8451","0.0007","90","","96.492","0.001","90","","1881.99","0.12","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Hettiarachchi, Suraj U.; Prasai, Bijeta; McCarley, Robin L.","Detection and cellular imaging of human cancer enzyme using a turn-on, wavelength-shiftable, self-immolative profluorophore.","Journal of the American Chemical Society","2014","136","21","7575","7578","10.1021/ja5030707","","","1.54178","CuKα","","0.0379","0.0361","","","0.0974","0.0993","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121829","7.606","0.007","16.812","0.014","8.963","0.007","90","","104.019","0.004","90","","1112","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)2","","","- C12 H22 N2 O18 Zn2 -","- C12 N2 O18 Zn2 -","- C24 N4 O36 Zn4 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi","Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.","Journal of the American Chemical Society","2014","136","21","7701","7707","10.1021/ja5022014","","","0.7107","MoKα","","0.0724","0.058","","","0.167","0.202","","","","","","1.257","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121830","7.7002","0.0007","16.4928","0.001","9.1611","0.0008","90","","108.314","0.001","90","","1104.51","0.15","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3]","","","- C12 H18 N2 O16 Zn2 -","- C12 N2 O16 Zn2 -","- C24 N4 O32 Zn4 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi","Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.","Journal of the American Chemical Society","2014","136","21","7701","7707","10.1021/ja5022014","","","0.7107","MoKα","","0.0658","0.0523","","","0.173","0.2038","","","","","","1.202","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121831","18.864","0.003","17.514","0.003","20.244","0.003","90","","99.656","0.002","90","","6593.5","1.8","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","4(Sc2@C66)/1.42(C8H10)/1.00(CS2)/0.58(C6H14)","","","- C279.84 H22.32 S2 Sc8 -","- C279.84 H22.32 S2 Sc8 -","- C559.68 H44.64 S4 Sc16 -","2","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Guo, Jing Dong; Waelchli, Markus; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Maeda, Yutaka; Hasegawa, Tadashi; Lu, Xing; Akasaka, Takeshi","Sc2@C66 Revisited: An Endohedral Fullerene with Scandium Ions Nestled within Two Unsaturated Linear Triquinanes.","Journal of the American Chemical Society","2014","136","21","7611","7614","10.1021/ja5035649","","","0.71073","MoKα","","0.0687","0.0622","","","0.1562","0.1624","","","","","","1.021","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121832","7.2753","0.0001","7.7473","0.0001","22.6981","0.0004","90","","94.037","0.001","90","","1276.18","0.03","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O4 -","- C30 H27 Br O4 -","- C60 H54 Br2 O8 -","2","1","","Masutomi, Koji; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Cycloisomerization of 1,6-Enynes to Bicyclo[3.1.0]hexanes Catalyzed by Rhodium and Benzoic Acid.","Journal of the American Chemical Society","2014","136","21","7627","7630","10.1021/ja504048u","","","1.54187","CuKα","","0.0309","0.0297","","","0.075","0.0772","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121833","12.5029","0.0004","15.7866","0.0005","18.7568","0.0006","76.828","0.002","84.688","0.002","73.539","0.002","3455.5","0.2","100","2","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 Fe N6 O7 P3 -","- C78 H64 Fe N6 O7 P3 -","- C156 H128 Fe2 N12 O14 P6 -","2","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.0656","0.0479","","","0.1107","0.1205","","","","","","1.02","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121834","24.7221","0.0009","15.0978","0.0006","25.3767","0.0013","90","","114.465","0.001","90","","8621.4","0.6","100","2","100.09","","","","","","","","","6","C 1 c 1","C -2yc","9","","tris(tetraphenylphosphonium) hexacyanoruthenate(III)","","- C84 H68.68 Cl15.32 N6 P3 Ru -","- C84 H67 Cl15.322 N6 P3 Ru -","- C336 H268 Cl61.288 N24 P12 Ru4 -","4","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.046","0.0403","","","0.0947","0.0985","","","","","","1.027","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121835","9.6496","0.0004","15.8469","0.0007","17.6621","0.0007","90","","101.402","0.001","90","","2647.52","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Au F5 I P -","- C25 H36 Au F5 I P -","- C100 H144 Au4 F20 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0177","0.0175","","","0.0424","0.0425","","","","","","1.172","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121836","18.0923","0.0009","14.9606","0.0007","20.1354","0.0011","90","","107.34","0.002","90","","5202.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Au F3 I P -","- C25 H38 Au F3 I P -","- C200 H304 Au8 F24 I8 P8 -","8","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0236","0.0194","","","0.0377","0.0388","","","","","","1.02","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121837","10.2268","0.0005","14.9875","0.0008","18.2383","0.0009","90","","90","","90","","2795.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Au Cl4 F P -","- C25 H39 Au Cl4 F P -","- C100 H156 Au4 Cl16 F4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.022","0.0208","","","0.0447","0.0454","","","","","","1.066","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121838","11.3296","0.0018","16.648","0.003","14.015","0.002","90","","92.676","0.007","90","","2640.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Au F3 I P -","- C26 H22 Au F3 I P -","- C104 H88 Au4 F12 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.021","0.0189","","","0.0454","0.0465","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121839","10.0238","0.0006","11.7238","0.0007","12.1838","0.0008","90","","111.701","0.002","90","","1330.33","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H21 Au Cl2 F4 I P -","- C26 H21 Au Cl2 F4 I P -","- C52 H42 Au2 Cl4 F8 I2 P2 -","2","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0135","0.0134","","","0.032","0.0321","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121840","11.5448","0.0004","18.1771","0.0006","14.4575","0.0005","90","","92.93","0.001","90","","3029.95","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Au Cl2 F4 I P -","- C26 H39 Au Cl2 F4 I P -","- C104 H156 Au4 Cl8 F16 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0232","0.0216","","","0.0506","0.0514","","","","","","1.036","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121841","11.4612","0.0006","14.5201","0.0008","18.0799","0.001","83.48","0.001","76.161","0.001","71.195","0.001","2763.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Au F3 I P -","- C26 H40 Au F3 I P -","- C104 H160 Au4 F12 I4 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0175","0.0164","","","0.0394","0.0402","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4121842","9.261","0.002","10.71","0.002","12.461","0.003","92.783","0.004","98.275","0.004","105.007","0.004","1176.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 B10 Si -","- C19 H34 B10 Si -","- C38 H68 B20 Si2 -","2","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1133","0.0831","","","0.2195","0.2453","","","","","","1.037","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121843","8.8283","0.0016","11.613","0.002","13.229","0.002","65.024","0.003","82.275","0.003","77.608","0.003","1199.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 B10 F Si -","- C19 H33 B10 F Si -","- C38 H66 B20 F2 Si2 -","2","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1268","0.0838","","","0.2058","0.2337","","","","","","1.008","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121844","9.713","0.003","11.46","0.004","21.611","0.007","90","","90","","90","","2405.5","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.2309","0.1257","","","0.2433","0.29","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121845","9.6641","0.0008","11.7306","0.0009","21.7302","0.0018","90","","90","","90","","2463.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.077","0.0711","","","0.1834","0.1899","","","","","","1.044","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121846","21.774","0.002","7.5041","0.0008","25.787","0.003","90","","98.332","0.002","90","","4169","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H26 B10 Si -","- C15 H26 B10 Si -","- C120 H208 B80 Si8 -","8","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1085","0.0731","","","0.1968","0.2266","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121847","24.5147","0.0017","7.0276","0.0005","17.2539","0.0014","90","","110.603","0.005","90","","2782.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B10 -","- C10 H16 B10 -","- C80 H128 B80 -","8","2","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1326","0.0915","","","0.2182","0.2663","","","","","","0.991","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121848","7.0536","0.0003","16.9061","0.0006","30.9575","0.0012","90","","90","","90","","3691.6","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O2 -","- C42 H54 N2 O2 -","- C168 H216 N8 O8 -","4","1","","Xu, Jin-Biao; Zhang, Hua; Gan, Li-She; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Logeracemin A, an Anti-HIV Daphniphyllum Alkaloid Dimer with a New Carbon Skeleton from Daphniphyllum longeracemosum.","Journal of the American Chemical Society","2014","136","21","7631","7633","10.1021/ja503995b","","","1.54178","CuKα","","0.0683","0.0597","","","0.1592","0.1654","","","","","","1.039","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121849","9.1758","0.0004","9.4495","0.0005","9.8699","0.0005","92.536","0.003","92.369","0.003","96.834","0.003","847.94","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","LMINC149","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C46 H34 Cl2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0731","0.0478","","","0.1133","0.1233","","","","","","1.065","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121850","8.9445","0.0004","9.4308","0.0004","9.857","0.0004","91.995","0.002","91.74","0.002","101.456","0.002","813.83","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","lm1ac407f4","","","- C23 H18 O -","- C23 H18 O -","- C46 H36 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.05","0.0416","","","0.119","0.1253","","","","","","1.054","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121851","10.3833","0.0011","7.9614","0.0008","11.2213","0.0012","90","","106.41","0.004","90","","889.83","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","141F2","","","- C23 H17 Br O -","- C23 H17 Br O -","- C46 H34 Br2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0586","0.0394","","","0.0694","0.0744","","","","","","1.048","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121852","8.5521","0.0002","8.5649","0.0003","15.8893","0.0005","90","","103.684","0.0014","90","","1130.82","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C52 H40 F8 N4 O4 -","2","1","","Xiao, Kai-Jiong; Lin, David W.; Miura, Motofumi; Zhu, Ru-Yi; Gong, Wei; Wasa, Masayuki; Yu, Jin-Quan","Palladium(II)-Catalyzed Enantioselective C(sp(3))-H Activation Using a Chiral Hydroxamic Acid Ligand.","Journal of the American Chemical Society","2014","136","22","8138","","10.1021/ja504196j","","x-ray","1.54178","CuKα","","0.0265","0.0253","","","0.0637","0.0645","","","","","","1.019","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121853","21.125","0.003","8.114","0.0012","10.7158","0.0016","90","","90","","90","","1836.8","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N3 O -","- C22 H22 N3 O -","- C88 H88 N12 O4 -","4","1","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","","0.0784","","","","0.1751","","","","","","1.149","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121854","21.682","0.011","21.682","0.011","15.696","0.008","90","","90","","90","","7379","6","100","","100","2","","","","","","","","7","I 4 c m","I 4 -2c","108","FRPCP","","","- C44 H44 Cu F6 N6 O6 Si -","- C44 H44 Cu F6 N6 O6 Si -","- C176 H176 Cu4 F24 N24 O24 Si4 -","4","0.25","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","0.1333","0.1145","","","0.2258","0.2378","","","","","","1.067","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121855","17.1764","0.0004","20.7259","0.0006","23.1192","0.0005","67.465","0.002","76.759","0.002","73.217","0.002","7212.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Ge6 H186 K22 Na10 O337 W56 Zr24 -","- Ge6 K22 Na10 O298 W56 Zr24 -","- Ge6 K22 Na10 O298 W56 Zr24 -","1","0.5","","Huang, Ling; Wang, Sa-Sa; Zhao, Jun-Wei; Cheng, Lin; Yang, Guo-Yu","Synergistic Combination of Multi-Zr(IV) Cations and Lacunary Keggin Germanotungstates Leading to a Gigantic Zr24-Cluster-Substituted Polyoxometalate.","Journal of the American Chemical Society","2014","136","21","7637","7642","10.1021/ja413134w","","","0.71073","MoKα","","0.0635","0.0498","","","0.1222","0.1311","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121856","26.7977","0.0013","26.7977","0.0013","26.7977","0.0013","90","","90","","90","","19243.9","1.6","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 La N9 O6 -","- C75 H78 La N9 O6 -","- C600 H624 La8 N72 O48 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0294","0.027","","","0.072","0.073","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121857","23.8149","0.0017","36.254","0.003","36.328","0.003","90","","90","","90","","31365","4","143","1","143","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C77 H82 Eu N9 O6.5 -","- C77 H82 Eu N9 O6.5 -","- C1232 H1312 Eu16 N144 O104 -","16","2","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0636","0.0527","","","0.1396","0.1451","","","","","","1.031","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121858","26.5809","0.0008","26.5809","0.0008","26.5809","0.0008","90","","90","","90","","18780.6","1","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 N9 O6 Y -","- C75 H78 N9 O6 Y -","- C600 H624 N72 O48 Y8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.052","0.0479","","","0.1349","0.1381","","","","","","1.051","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121859","26.5542","0.001","26.5542","0.001","26.5542","0.001","90","","90","","90","","18724","1.2","100","1","100","1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C78 H84 Cl6 N9 O6 Yb -","- C78 H84 Cl6 N9 O6 Yb -","- C624 H672 Cl48 N72 O48 Yb8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0455","0.0429","","","0.121","0.1249","","","","","","0.792","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121860","12.0552","0.0001","12.9575","0.0002","15.4825","0.0002","88.091","0.001","80.782","0.001","72.288","0.001","2273.75","0.05","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 Cl5 N4 O2 P2 Pt -","- C46 H39 Cl4.9996 N4 O2 P2 Pt -","- C92 H78 Cl9.9992 N8 O4 P4 Pt2 -","2","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0735","","","","","","1.024","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121861","14.2612","0.0006","10.4367","0.0005","28.5791","0.0013","90","","93.188","0.001","90","","4247.1","0.3","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 B Cl F4 N4 O2.5 P2 Pt -","- C44 H40 B Cl F4 N4 O2.5 P2 Pt -","- C176 H160 B4 Cl4 F16 N16 O10 P8 Pt4 -","4","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0434","0.0298","","","0.0646","0.0689","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121862","20.0652","0.0008","11.9643","0.0005","21.7399","0.0009","90","","113.106","0.002","90","","4800.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Br N5 P2 Pt -","- C54 H48 Br N5 P2 Pt -","- C216 H192 Br4 N20 P8 Pt4 -","4","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0314","0.0268","","","0.0729","0.0753","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121863","10.4325","0.0003","20.1777","0.0007","20.2332","0.0006","89.468","0.002","85.019","0.002","85.419","0.002","4229.5","0.2","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H38 B Br Cl F4 N5 P2 Pt -","- C42.5 H37 B Br Cl F4 N5 P2 Pt -","- C170 H148 B4 Br4 Cl4 F16 N20 P8 Pt4 -","4","2","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0807","0.0483","","","0.1101","0.1218","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121864","12.5506","0.0003","12.9933","0.0003","16.7384","0.0004","107.063","0.0013","98.5557","0.0014","112.121","0.0013","2311.45","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Gd2 K2 O4 -","- C48 H64 Gd2 K2 O4 -","- C96 H128 Gd4 K4 O8 -","2","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0723","0.0409","","","0.0826","0.0948","","","","","","1.034","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121865","16.862","0.0004","16.862","0.0004","20.2149","0.0005","90","","90","","90","","5747.6","0.2","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C21 H36 Er Si3 -","- C21 H36 Er Si3 -","- C168 H288 Er8 Si24 -","8","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0346","0.0277","","","0.063","0.0658","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121866","12.4865","0.001","12.8999","0.001","16.7853","0.0015","107.25","0.002","98.705","0.002","111.302","0.002","2301.4","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Er2 K2 O4 -","- C48 H64 Er2 K2 O4 -","- C96 H128 Er4 K4 O8 -","2","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.1665","0.0837","","","0.1559","0.1864","","","","","","1.046","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121867","8.5164","0.0003","11.9772","0.0004","9.0562","0.0003","90","","90","","90","","923.76","0.05","293","0.14","293","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0264","0.021","","","0.0549","0.0586","","","","","","1.057","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121868","8.761","0.0003","12.3507","0.0004","8.8118","0.0003","90","","90","","90","","953.48","0.06","413","0.14","413","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.1043","0.0693","","","0.2004","0.2363","","","","","","1.131","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121869","8.5303","0.0003","11.9918","0.0004","9.0531","0.0003","90","","90","","90","","926.07","0.05","333","0.14","333","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0285","0.0224","","","0.0572","0.0606","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121870","8.5389","0.0003","11.9989","0.0004","9.0517","0.0003","90","","90","","90","","927.41","0.05","353","0.14","353","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0287","0.0219","","","0.0544","0.0599","","","","","","1.08","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121871","8.5471","0.0003","12.0046","0.0004","9.0496","0.0003","90","","90","","90","","928.53","0.05","373","0.14","373","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0299","0.0227","","","0.0595","0.0656","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121872","8.711","0.0003","12.3162","0.0004","8.8734","0.0003","90","","90","","90","","952","0.06","333","0.14","333","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0639","0.0423","","","0.1154","0.1299","","","","","","1.159","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121873","8.522","0.0003","11.9877","0.0004","9.054","0.0003","90","","90","","90","","924.95","0.05","313","0.14","313","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.028","0.0228","","","0.0576","0.0615","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121874","8.5611","0.0003","12.0204","0.0004","9.0426","0.0003","90","","90","","90","","930.55","0.05","413","0.14","413","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0321","0.0245","","","0.0645","0.0702","","","","","","1.088","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121875","8.5538","0.0003","12.0096","0.0004","9.0457","0.0003","90","","90","","90","","929.24","0.05","393","0.14","393","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0313","0.0237","","","0.0607","0.0663","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121876","8.7233","0.0003","12.3247","0.0004","8.8668","0.0003","90","","90","","90","","953.29","0.06","354","9","354","9","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0683","0.0445","","","0.1105","0.1316","","","","","","1.139","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121877","8.7515","0.0003","12.3472","0.0004","8.8346","0.0003","90","","90","","90","","954.64","0.06","393","0.14","393","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0787","0.0543","","","0.1516","0.1703","","","","","","1.17","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121878","8.7393","0.0003","12.3416","0.0004","8.8576","0.0003","90","","90","","90","","955.35","0.06","373","0.14","373","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0737","0.0496","","","0.1324","0.1522","","","","","","1.122","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121879","8.6939","0.0003","12.3048","0.0004","8.8768","0.0003","90","","90","","90","","949.61","0.06","293","0.14","293","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0635","0.0431","","","0.1072","0.124","","","","","","1.143","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121880","8.6985","0.0003","12.3141","0.0004","8.8804","0.0003","90","","90","","90","","951.22","0.06","313","0.14","313","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0636","0.0426","","","0.1062","0.1219","","","","","","1.102","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121890","14.552","0.0005","14.6344","0.0005","15.0327","0.0006","67.739","0.003","88.928","0.003","65.891","0.003","2669","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0324","0.0297","","","0.0763","0.0784","","","","","","1.03","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121891","14.1218","0.0003","15.1886","0.0003","15.4437","0.0003","112.681","0.002","99.1365","0.0017","108.159","0.0019","2753.21","0.12","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C109.14 H84.29 B2 Cu2 F40 N6 O5.29 S2 -","- C109.144 H84.288 B2 Cu2 F40 N6 O5.286 S2 -","- C109.144 H84.288 B2 Cu2 F40 N6 O5.286 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0379","0.0335","","","0.0951","0.0993","","","","","","1.017","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121892","11.0119","0.0002","26.6898","0.0006","11.0783","0.0002","90","","93.1668","0.0019","90","","3251","0.11","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Cl2 Cu N3 O11 S -","- C28 H39 Cl2 Cu N3 O11 S -","- C112 H156 Cl8 Cu4 N12 O44 S4 -","4","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.0436","0.0329","","","0.0773","0.0812","","","","","","1.02","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121893","8.5031","0.0002","9.9656","0.0003","16.9854","0.0005","93.826","0.003","95.153","0.002","99.59","0.003","1408.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H33 Cl2 Cu N3 O10 S -","- C22 H33 Cl2 Cu N3 O10 S -","- C44 H66 Cl4 Cu2 N6 O20 S2 -","2","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.031","0.0276","","","0.072","0.0733","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121894","12.4411","0.0003","12.7513","0.0003","16.4894","0.0004","98.133","0.0018","102.843","0.0019","112.2","0.002","2286.54","0.11","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.0358","0.0291","","","0.0741","0.077","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121895","10.4003","0.0005","13.2758","0.0007","13.2819","0.0007","66.056","0.005","82.033","0.004","78.063","0.004","1636.74","0.16","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 Cl2 Cu N3 O11 S -","- C26 H35 Cl2 Cu N3 O11 S -","- C52 H70 Cl4 Cu2 N6 O22 S2 -","2","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0406","0.0378","","","0.1085","0.1114","","","","","","1.058","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121896","12.004","0.002","17.666","0.003","18.152","0.003","94.322","0.003","100.559","0.003","104.961","0.003","3625.3","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H119 Br6 Fe3 N3 O4 P6 -","- C55 H119 Br6 Fe3 N3 O4 P6 -","- C110 H238 Br12 Fe6 N6 O8 P12 -","2","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","0.71073","MoKα","","0.0586","0.0322","","","0.0612","0.0691","","","","","","1.011","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121897","8.1326","0.0001","14.0809","0.0002","19.425","0.0003","90","","91.717","0.001","90","","2223.44","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H42 B Fe N O P2 -","- C17 H42 B Fe N O P2 -","- C68 H168 B4 Fe4 N4 O4 P8 -","4","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","1.54178","CuKα","","0.0446","0.0366","","","0.0929","0.0979","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121898","8.0654","0.0001","13.8223","0.0002","19.6272","0.0003","90","","92.051","0.001","90","","2186.69","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H38 Br Fe N O P2 -","- C17 H38 Br Fe N O P2 -","- C68 H152 Br4 Fe4 N4 O4 P8 -","4","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","1.54178","CuKα","","0.0308","0.0271","","","0.0696","0.0721","","","","","","1.035","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121899","22.989","0.003","22.989","0.003","15.763","0.003","90","","90","","120","","7214.6","1.9","258","2","258","2","","","","","","","","5","R -3 :H","-R 3","148","ZIF-7","ZIF-7","","- C14 H10 N4 O2.24 Zn -","- C14 H10 N4 O2.24 Zn -","- C252 H180 N72 O40.32 Zn18 -","18","1","","Cai, Wanxi; Lee, Taehee; Lee, Maro; Cho, Woosuk; Han, Doug-Young; Choi, Nakwon; Yip, Alex C. K.; Choi, Jungkyu","Thermal Structural Transitions and Carbon Dioxide Adsorption Properties of Zeolitic Imidazolate Framework-7 (ZIF-7).","Journal of the American Chemical Society","2014","136","22","7961","","10.1021/ja5016298","","","0.71073","MoKα","","0.1711","0.0707","","","0.1157","0.127","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121900","41.091","0.004","41.091","0.004","41.091","0.004","90","","90","","90","","69381","12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C32 H22 Mg3 O12 -","- C32 H22 Mg3 O12 -","- C768 H528 Mg72 O288 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.2548","0.1993","","","0.2995","0.332","","","","","","1.009","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121901","40.77","0.04","40.77","0.04","40.77","0.04","90","","90","","90","","67768","12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C32 H25 Fe3 O12 -","- C32 H25 Fe3 O12 -","- C768 H600 Fe72 O288 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.2673","0.1289","","","0.2529","0.3099","","","","","","1.007","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121902","40.881","0.008","40.881","0.008","40.881","0.008","90","","90","","90","","68323","2","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C32 H25 Cr3 N0 O12 -","- C32 H29 Cr3 O11 -","- C768 H696 Cr72 O264 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.3268","0.1795","","","0.3935","0.4368","","","","","","1.914","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121903","12.7335","0.0002","19.3738","0.0002","31.7858","0.0004","90","","90","","90","","7841.44","0.18","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H36 Cl2 Cu N4 O6 -","- C45 H36 Cl2 Cu N4 O6 -","- C360 H288 Cl16 Cu8 N32 O48 -","8","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0729","0.0396","","","0.0882","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121904","13.1354","0.0002","15.4508","0.0003","15.3363","0.0003","90","","90.3769","0.0012","90","","3112.47","0.1","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H28 Cl4 Cu N4 O4 -","- C31 H28 Cl4 Cu N4 O4 -","- C124 H112 Cl16 Cu4 N16 O16 -","4","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0631","0.0394","","","0.097","0.1098","","","","","","1.017","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121905","21.104","0.003","21.104","0.003","21.104","0.003","90","","90","","90","","9399","2","110","2","110","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","PCN-94","","","- C162 H96 O32 Zr6 -","- C162 H96 O32 Zr6 -","- C162 H96 O32 Zr6 -","1","0.0208333","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1352","0.1188","","","0.2496","0.2605","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121906","20.588","0.006","78.02","0.02","8.621","0.002","90","","90","","90","","13848","6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","H4ETTC","4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl] -4-carboxylic acid))","","- C72 H78 N6 O14 -","- C72 H78 N6 O14 -","- C576 H624 N48 O112 -","8","0.5","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1806","0.1346","","","0.2929","0.3114","","","","","","1.004","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121911","14.926","0.003","12.592","0.003","7.6268","0.0016","90","","90.73","0.006","90","","1433.3","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C72 H72 O16 -","2","0.25","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0446","0.0373","","","0.089","0.095","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121912","10.984","0.0008","10.984","0.0008","52.464","0.004","90","","90","","90","","6329.7","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C61 H67 F6 Fe N5 O11 S4 -","- C61 H67 F6 Fe N5 O11 S4 -","- C244 H268 F24 Fe4 N20 O44 S16 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0411","0.0395","","","0.0976","0.0985","","","","","","1.186","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121913","15.852","0.003","4.277","0.0008","21.043","0.004","90","","103.334","0.005","90","","1388.2","0.5","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0389","0.0359","","","0.0911","0.0937","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121914","7.2839","0.0014","7.6923","0.0015","26.517","0.005","90","","90.255","0.003","90","","1485.7","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C72 H72 O16 -","2","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0573","0.0458","","","0.1082","0.1153","","","","","","1.022","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121915","9.9202","0.0005","11.6625","0.0006","15.0194","0.0008","111.87","0.003","97.172","0.003","103.982","0.003","1519.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20.65 N O5.32 -","- C15 H15 N O5.332 -","- C60 H60 N4 O21.328 -","4","2","","Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier","Photoswitching using visible light: a new class of organic photochromic molecules.","Journal of the American Chemical Society","2014","136","23","8169","8172","10.1021/ja503016b","","","0.71073","MoKα","","0.0869","0.0666","","","0.1942","0.2084","","","","","","1.157","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121916","17.2369","0.0013","7.8216","0.0007","14.1194","0.0012","90","","104.169","0.004","90","","1845.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C64 H88 Cl8 N4 O20 -","4","1","","Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier","Photoswitching using visible light: a new class of organic photochromic molecules.","Journal of the American Chemical Society","2014","136","23","8169","8172","10.1021/ja503016b","","","0.71073","MoKα","","0.0631","0.0495","","","0.1337","0.1405","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121917","16.2394","0.0018","11.0517","0.0012","19.39","0.003","90","","114.633","0.002","90","","3163.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Mo P4 Si2 -","- C24 H52 Mo P4 Si2 -","- C96 H208 Mo4 P16 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.1079","0.0496","","","0.0881","0.1071","","","","","","1.007","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121918","9.5132","0.0011","9.3963","0.0011","29.385","0.003","90","","91.339","0.002","90","","2626","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 Mo P3 Si -","- C21 H43 Mo P3 Si -","- C84 H172 Mo4 P12 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0702","0.0576","","","0.1161","0.1199","","","","","","1.256","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121919","38.441","0.003","9.6368","0.0008","16.7191","0.0015","90","","99.461","0.001","90","","6109.3","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Mo P4 Si -","- C24 H50 Mo P4 Si -","- C192 H400 Mo8 P32 Si8 -","8","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0716","0.0408","","","0.0871","0.0997","","","","","","1.023","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121920","13.762","0.002","9.4136","0.0015","23.238","0.004","90","","106.705","0.002","90","","2883.4","0.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Mo P3 Si -","- C27 H43 Mo P3 Si -","- C108 H172 Mo4 P12 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0952","0.0512","","","0.1002","0.1169","","","","","","1.014","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121921","11.5384","0.0011","16.2583","0.0016","19.167","0.0019","90","","102.975","0.001","90","","3503.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Mo P3 Si2 -","- C33 H51 Mo P3 Si2 -","- C132 H204 Mo4 P12 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0627","0.0434","","","0.1066","0.1195","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121922","9.6486","0.0016","12.613","0.002","9.6355","0.0016","90","","90","","90","","1172.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H44 Mo P4 Si2 -","- C12 H44 Mo P4 Si2 -","- C24 H88 Mo2 P8 Si4 -","2","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.042","0.0384","","","0.0862","0.088","","","","","","1.091","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121923","15.8327","0.001","12.3924","0.0008","14.3996","0.0009","90","","101.111","0.0009","90","","2772.3","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Mo P4 Si2 -","- C18 H48 Mo P4 Si2 -","- C72 H192 Mo4 P16 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0388","0.0282","","","0.063","0.0685","","","","","","1.041","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121924","13.8563","0.0013","13.5078","0.0013","12.344","0.0012","90","","90","","90","","2310.4","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H42 Mo P4 Si -","- C12 H42 Mo P4 Si -","- C48 H168 Mo4 P16 Si4 -","4","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0421","0.0318","","","0.0569","0.0604","","","","","","1.034","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121925","12.5268","0.0006","13.5257","0.0007","18.2118","0.0009","111.117","0.002","91.011","0.003","93.247","0.003","2871.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H95 B N4 Ti -","- C60.5 H95 B N4 Ti -","- C121 H190 B2 N8 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0729","0.055","","","0.1433","0.155","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121926","13.1469","0.0006","14.0242","0.0006","14.8591","0.0006","84.854","0.002","68.454","0.002","81.063","0.002","2515.68","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H150 K2 N8 Ti2 -","- C112 H150 K2 N8 Ti2 -","- C112 H150 K2 N8 Ti2 -","1","0.5","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0846","0.0479","","","0.113","0.1272","","","","","","1.032","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121927","12.4424","0.0005","12.4647","0.0005","20.593","0.0009","94.49","0.002","101.744","0.002","115.885","0.002","2762.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H87 Al N4 O Ti -","- C58.5 H87 Al N4 O Ti -","- C117 H174 Al2 N8 O2 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0791","0.0653","","","0.1805","0.1937","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121928","10.4355","0.0008","12.7315","0.0009","18.1717","0.0013","86.649","0.004","84.733","0.004","70.149","0.004","2260.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H67 Cl N3 Ti -","- C49 H67 Cl N3 Ti -","- C98 H134 Cl2 N6 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.068","0.045","","","0.1088","0.1195","","","","","","1.02","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121929","14.5091","0.0004","20.5507","0.0006","17.6019","0.0005","90","","110.483","0.001","90","","4916.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 N4 Ti -","- C56 H76 N4 Ti -","- C224 H304 N16 Ti4 -","4","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0611","0.0427","","","0.1071","0.1174","","","","","","1.019","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121930","10.969","0.0001","14.0804","0.0001","20.8984","0.0002","97.76","0.0004","94.6572","0.0004","101.045","0.0003","3119.84","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H48 N2 O7.5 -","- C102 H48 N2 O7.5 -","- C204 H96 N4 O15 -","2","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0879","0.081","","","0.268","0.275","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121931","10.9744","0.0001","15.6712","0.0001","32.7548","0.0003","90","","96.3456","0.0004","90","","5598.72","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H34 N2 O2 -","- C99 H34 N2 O2 -","- C396 H136 N8 O8 -","4","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0905","0.077","","","0.2042","0.2221","","","","","","1.038","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121932","14.682","0.0003","14.9432","0.0003","22.5408","0.0004","104.896","0.0009","102.991","0.001","99.4224","0.0012","4526.19","0.16","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.5 H82 N6 Ni O3 -","- C138.5 H82 N6 Ni O3 -","- C277 H164 N12 Ni2 O6 -","2","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0885","0.0789","","","0.2188","0.2384","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121933","10.9998","0.0001","15.5835","0.0002","32.7449","0.0003","90","","96.8988","0.0005","90","","5572.34","0.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H31 Cl N2 O S -","- C97 H31 Cl N2 O S -","- C388 H124 Cl4 N8 O4 S4 -","4","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0868","0.0769","","","0.2065","0.2198","","","","","","1.054","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121934","9.7753","0.0011","12.6238","0.0015","30.737","0.004","90","","90","","90","","3793","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.064","0.0479","","","0.1139","0.1235","","","","","","1.034","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121935","7.8448","0.0009","12.3771","0.0014","20.72","0.002","90","","90","","90","","2011.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.073","0.0486","","","0.1094","0.1204","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121940","6.3819","0.0013","9.1034","0.0018","9.7642","0.0019","108.882","0.003","103.887","0.003","95.759","0.003","511.18","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","1","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0375","0.0334","","","0.0839","0.0881","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121941","13.8575","0.0015","13.8575","0.0015","12.3672","0.0013","90","","90","","120","","2056.7","0.4","296","2","296","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H28 Cl N O6 S -","- C27 H28 Cl N O6 S -","- C81 H84 Cl3 N3 O18 S3 -","3","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0805","0.0399","","","0.0744","0.089","","","","","","1.016","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121942","10.7267","0.0011","8.0894","0.0009","11.6346","0.0013","90","","100.927","0.002","90","","991.26","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O2 -","- C23 H24 Cl N O2 -","- C46 H48 Cl2 N2 O4 -","2","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.037","0.0341","","","0.0789","0.0812","","","","","","0.988","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121943","8.6789","0.0003","34.3705","0.0014","11.058","0.0007","90","","110.497","0.003","90","","3089.7","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1486","0.1131","","0.1211","0.1102","0.1102","","","","","","1.0853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121944","8.744","0.003","20.762","0.006","34.408","0.011","90","","90","","90","","6247","3","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.057","0.0404","","0.1002","0.0941","0.1002","","","","","","0.9402","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121945","8.7977","0.0003","20.7323","0.001","34.3652","0.001","90","","90","","90","","6268.1","0.4","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C25.125 H16.5 O13.125 Sc2 -","- C26.056 H12 O14.056 Sc2 -","- C208.448 H96 O112.448 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","1.54178","CuKα","","0.0823","0.0623","","0.17","0.1523","0.17","","","","","","0.9247","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121946","8.7682","0.0014","20.4694","0.0019","33.851","0.005","90","","90","","90","","6075.6","1.4","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.875 H31.5 O16.875 Sc2 -","- C28.84 H12 O16.84 Sc2 -","- C230.72 H96 O134.72 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1459","0.0988","","0.3014","0.2518","0.3014","","","","","","1.1704","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121947","8.686","0.0004","34.208","0.002","11.0156","0.001","90","","110.632","0.005","90","","3063.1","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1792","0.1326","","0.1598","0.1398","0.1398","","","","","","0.9628","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121948","8.8244","0.001","20.6223","0.0014","34.123","0.003","90","","90","","90","","6209.7","1","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.75 H31 O16.75 Sc2 -","- C29.16 H12 O17.16 Sc2 -","- C233.28 H96 O137.28 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1147","0.0794","","0.2502","0.2209","0.2502","","","","","","0.9897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121949","8.6765","0.0001","34.4185","0.0005","11.0608","0.0002","90","","110.476","0.001","90","","3094.42","0.08","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1065","0.0878","","0.0999","0.0978","0.0978","","","","","","1.0754","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121950","8.7407","0.0004","20.7577","0.001","34.3372","0.0019","90","","90","","90","","6230","0.5","298","","298","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","1.54184","CuKα","","0.0459","0.04","","0.0862","0.0783","0.0862","","","","","","0.8154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121951","8.8567","0.0016","20.693","0.002","34.249","0.006","90","","90","","90","","6276.9","1.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28 H28 O16 Sc2 -","- C27.96 H12 O15.96 Sc2 -","- C223.68 H96 O127.68 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1362","0.0889","","0.2102","0.189","0.2102","","","","","","1.0483","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121952","8.7316","0.0005","20.7231","0.0007","34.3055","0.0014","90","","90","","90","","6207.4","0.5","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.0769","0.044","","0.127","0.1131","0.127","","","","","","0.8514","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121953","8.8641","0.0017","20.698","0.002","34.229","0.006","90","","90","","90","","6280","1.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.875 H31.5 O16.875 Sc2 -","- C28.76 H12 O16.76 Sc2 -","- C230.08 H96 O134.08 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1783","0.099","","0.2876","0.2417","0.2876","","","","","","0.9424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121954","18.365","0.004","31.823","0.005","8.7225","0.0011","90","","90","","90","","5097.7","1.5","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1747","0.1407","","0.3984","0.3745","0.3984","","","","","","1.6212","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121955","19.61","0.006","32.864","0.008","8.6757","0.0016","90","","90","","90","","5591","2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1748","0.1255","","0.3453","0.3015","0.3453","","","","","","1.2282","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121956","18.621","0.002","32.033","0.003","8.6911","0.0005","90","","90","","90","","5184.1","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1322","0.1013","","0.2575","0.2409","0.2575","","","","","","0.9975","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121957","8.7467","0.0002","20.7505","0.0004","34.3708","0.0006","90","","90","","90","","6238.2","0.2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.0951","0.0537","","0.1001","0.0906","0.1001","","","","","","0.9236","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121958","8.8041","0.0015","20.625","0.002","34.062","0.005","90","","90","","90","","6185.1","1.5","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29.25 H33 O17.25 Sc2 -","- C29.2 H12 O17.2 Sc2 -","- C233.6 H96 O137.6 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1444","0.0999","","0.3144","0.2676","0.3144","","","","","","0.9051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121959","18.951","0.002","32.321","0.003","8.6859","0.0005","90","","90","","90","","5320.2","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1495","0.1021","","0.2881","0.2512","0.2881","","","","","","0.9566","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121960","8.6111","0.0003","34.26","0.004","10.9614","0.0004","90","","109.949","0.002","90","","3039.8","0.4","293","","293","","","","27000","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.3238","0.1177","","0.1352","0.119","0.119","","","","","","1.3479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121961","8.6786","0.0003","34.4286","0.0013","11.0628","0.0004","90","","110.482","0.002","90","","3096.5","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1263","0.0806","","0.0763","0.0679","0.0679","","","","","","1.1311","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121962","8.851","0.002","20.676","0.003","34.203","0.007","90","","90","","90","","6259","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29.125 H32.5 O17.125 Sc2 -","- C29.24 H12 O17.24 Sc2 -","- C233.92 H96 O137.92 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1803","0.0919","","0.2526","0.2118","0.2526","","","","","","0.9746","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121963","6.2662","0.0001","17.4708","0.0003","21.464","0.0015","90","","90","","90","","2349.78","0.17","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F9 N2 O2 S -","- C22 H19 F9 N2 O2 S -","- C88 H76 F36 N8 O8 S4 -","4","1","","Wangweerawong, Apiwat; Bergman, Robert G.; Ellman, Jonathan A.","Asymmetric Synthesis of α-Branched Amines via Rh(III)-Catalyzed C-H Bond Functionalization.","Journal of the American Chemical Society","2014","136","24","8520","8523","10.1021/ja5033452","","","1.54178","CuKα","","0.0386","0.0344","","","0.0724","0.075","","","","","","1.138","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121964","5.2361","0.0001","13.5746","0.0003","27.6919","0.0005","90","","90","","90","","1968.28","0.07","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1056","0.0708","","","0.1162","0.1282","","","","","","1.088","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121965","9.86","0.003","21.682","0.006","28.601","0.005","90","","87.321","0.014","90","","6108","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C276 H300 N12 O24 S12 -","12","3","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1758","0.0875","","","0.1801","0.2234","","","","","","1.062","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121966","13.4376","0.0017","24.237","0.003","15.0417","0.0018","90","","93.186","0.002","90","","4891.3","1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd5a","","","- C44 H64 O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C176 H256 O16 S16 Si16 -","4","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0502","0.0452","","","0.1147","0.1186","","","","","","1.063","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121967","12.481","0.007","14.609","0.007","16.096","0.008","98.34","0.02","90.05","0.02","108.281","0.012","2754","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","cmpd5b","","","- C46 H67 N O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C88 H128 O8 S8 Si8 -","2","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0796","0.0648","","","0.1754","0.187","","","","","","1.156","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121968","6.8915","0.0008","23.793","0.003","16.7203","0.0019","90","","90.691","0.0019","90","","2741.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cmpd4","","","- C48 H70 N2 O6 S4 Si4 -","- C48 H70 N2 O6 S4 Si4 -","- C96 H140 N4 O12 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0458","0.0418","","","0.1103","0.1135","","","","","","1.073","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121969","13.746","0.005","12.472","0.004","14.807","0.005","90","","93.306","0.005","90","","2534.3","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd3","","","- C44 H64 O8 S4 Si4 -","- C44 H64 O8 S4 Si4 -","- C88 H128 O16 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.1297","0.0872","","","0.2207","0.2736","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121970","7.627","0.0008","8.8684","0.0009","17.4002","0.0017","76.1095","0.0019","85.395","0.002","65.8753","0.0018","1042.52","0.18","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","jonsc21","(iPr2PCH2CH2NCH2CH2PiPr2)FeH(CO)","","- C17 H37 Fe N O P2 -","- C17 H37 Fe N O P2 -","- C34 H74 Fe2 N2 O2 P4 -","2","1","","Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","A molecular iron catalyst for the acceptorless dehydrogenation and hydrogenation of N-heterocycles.","Journal of the American Chemical Society","2014","136","24","8564","8567","10.1021/ja504523b","","","0.71073","MoKα","","0.0429","0.0319","","","0.0747","0.0791","","","","","","1.065","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121971","11.147","0.003","10.433","0.002","27.58","0.007","90","","92.683","0.007","90","","3203.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F36 O4 -","- C21 H8 F36 O4 -","- C84 H32 F144 O16 -","4","1","","Tirotta, Ilaria; Mastropietro, Alfonso; Cordiglieri, Chiara; Gazzera, Lara; Baggi, Fulvio; Baselli, Giuseppe; Grazia Bruzzone, Maria; Zucca, Ileana; Cavallo, Gabriella; Terraneo, Giancarlo; Baldelli Bombelli, Francesca; Metrangolo, Pierangelo; Resnati, Giuseppe","A Superfluorinated Molecular Probe for Highly Sensitive in Vivo(19)F-MRI.","Journal of the American Chemical Society","2014","136","24","8524","8527","10.1021/ja503270n","","","0.71073","MoKα","","0.1236","0.0794","","","0.2014","0.239","","","","","","1.027","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121972","9.656","0.002","9.741","0.002","14.998","0.004","78.909","0.004","83.3","0.003","74.702","0.004","1332.1","0.5","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N2 Yb -","- C32 H38 N2 Yb -","- C64 H76 N4 Yb2 -","2","1","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0364","0.0305","","","0.0712","0.0739","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121973","17.9675","0.0015","17.8594","0.0015","16.2715","0.0013","90","","90","","90","","5221.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Yb2 -","- C64 H76 N4 Yb2 -","- C256 H304 N16 Yb8 -","4","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0563","0.0344","","","0.0783","0.0855","","","","","","1.003","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121974","9.4244","0.0013","13.0969","0.0018","14.5221","0.0019","83.002","0.002","77.287","0.002","78.976","0.002","1710.3","0.4","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C82 H100 N4 Yb2 -","- C82 H100 N4 Yb2 -","- C82 H100 N4 Yb2 -","1","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0448","0.0369","","","0.0844","0.0882","","","","","","1.07","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121975","9.0108","0.0003","17.2862","0.0006","18.5122","0.0006","90","","90.228","0.002","90","","2883.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C136 H168 N8 Yb4 -","4","1","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0239","0.0205","","","0.0463","0.0482","","","","","","1.074","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121976","9.7032","0.0013","31.081","0.004","28.751","0.004","90","","99.71","","90","","8547","2","137","2","137","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C408 H504 N24 Yb12 -","12","3","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0588","0.0369","","","0.0653","0.0676","","","","","","0.98","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121977","10.9776","0.0003","9.9868","0.0003","28.5806","0.0008","90","","90","","90","","3133.32","0.15","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0339","0.0324","","","0.0803","0.0814","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121978","14.5256","0.0003","6.9706","0.0002","24.6411","0.0006","90","","92.089","0.001","90","","2493.31","0.11","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","4","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0297","0.0279","","","0.0682","0.0695","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121979","7.2608","0.0002","12.2775","0.0004","13.9906","0.0005","90","","90","","90","","1247.18","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0258","0.0255","","","0.0666","0.0675","","","","","","1.077","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121980","10.9054","0.0003","17.4588","0.0004","6.6865","0.0002","90","","90","","90","","1273.08","0.06","100","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N O3.5 -","- C15 H15 N O3.5 -","- C60 H60 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0342","0.0327","","","0.0894","0.0908","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121981","10.9133","0.0002","17.456","0.0004","6.6856","0.0001","90","","90","","90","","1273.62","0.04","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H16 N O3.5 -","- C15 H16 N O3.5 -","- C60 H64 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0343","0.0337","","","0.0969","0.0975","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121982","10.0478","0.0003","7.4742","0.0002","10.4273","0.0003","90","","117.995","0.001","90","","691.45","0.03","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.025","0.0248","","","0.0656","0.0659","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121983","10.0586","0.0015","7.4726","0.0011","10.4252","0.0015","90","","117.968","0.005","90","","692.08","0.18","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0267","0.0264","","","0.0681","0.0683","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121984","10.4155","0.0004","10.8207","0.0004","11.9003","0.0004","90","","90","","90","","1341.2","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0496","0.0486","","","0.1323","0.1331","","","","","","1.052","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121985","10.4007","0.0007","10.8621","0.0007","11.9388","0.0008","90","","90","","90","","1348.77","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0716","0.068","","","0.198","0.2027","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121986","10.5863","0.0005","7.2819","0.0003","10.7905","0.0005","90","","112.547","0.002","90","","768.24","0.06","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0249","0.0248","","","0.064","0.0642","","","","","","1.046","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121987","10.5871","0.0002","7.2845","0.0002","10.7784","0.0003","90","","112.488","0.002","90","","768.04","0.04","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0279","0.0263","","","0.0649","0.066","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121988","10.5289","0.0002","10.8797","0.0002","11.1329","0.0002","90","","90","","90","","1275.29","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0394","0.0343","","","0.0782","0.0808","","","","","","1.092","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121989","10.412","0.0003","11.0795","0.0003","11.1114","0.0004","90","","90","","90","","1281.81","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0435","0.0413","","","0.1107","0.1124","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121990","7.051","0.003","12.646","0.005","16.338","0.005","90","","90","","90","","1456.8","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Feng, Jiajie; Garza, Victoria J.; Krische, Michael J.","Redox-Triggered C-C Coupling of Alcohols and Vinyl Epoxides: Diastereo- and Enantioselective Formation of All-Carbon Quaternary Centers via tert-(Hydroxy)-Prenylation.","Journal of the American Chemical Society","2014","136","25","8911","8914","10.1021/ja504625m","","","0.71073","MoKα","","0.0209","0.0201","","","0.0508","0.0512","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121991","11.3472","0.0015","16.549","0.002","20.044","0.003","79.129","0.002","87.126","0.002","79.929","0.002","3638.9","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","tap006","","","- C60 H77 K4 N11.5 O22 Th -","- C59.818 H77.08 K4 N11.577 O22.249 Th -","- C119.636 H154.16 K8 N23.154 O44.498 Th2 -","2","1","","Pham, Tiffany A.; Xu, Jide; Raymond, Kenneth N.","A macrocyclic chelator with unprecedented th(4+) affinity.","Journal of the American Chemical Society","2014","136","25","9106","9115","10.1021/ja503456r","","","0.71073","MoKα","","0.1147","0.0709","","","0.1711","0.1973","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121992","11.0189","0.0006","8.3701","0.0004","29.9278","0.0015","90","","94.475","0.002","90","","2751.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Cl2 N10 O22 -","- C50 H72 Cl4 N10 O22 -","- C100 H144 Cl8 N20 O44 -","2","0.5","","Pham, Tiffany A.; Xu, Jide; Raymond, Kenneth N.","A macrocyclic chelator with unprecedented th(4+) affinity.","Journal of the American Chemical Society","2014","136","25","9106","9115","10.1021/ja503456r","","","1.54178","CuKα","","0.0432","0.0355","","","0.092","0.0966","","","","","","1.038","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121993","8.6814","0.0002","7.3122","0.0002","13.837","0.0004","90","","128.498","0.002","90","","687.44","0.04","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ba2 O15 P5 Rb -","- Ba2 O15 P5 Rb -","- Ba4 O30 P10 Rb2 -","2","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0275","0.0266","","","0.0598","0.0604","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121994","8.9487","0.0002","9.4087","0.0002","18.4277","0.0003","90","","90","","90","","1551.53","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 O14 P4 Rb2 -","- Ba3 O14 P4 Rb2 -","- Ba12 O56 P16 Rb8 -","4","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0528","0.0491","","","0.1128","0.1148","","","","","","1.053","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121995","5.17086","0.00015","5.17086","","13.9353","0.0004","90","","90","","120","","322.68","","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","zinc iron tantalite","","- Fe O6 Ta Zn2 -","- Fe O6 Ta Zn2 -","- Fe3 O18 Ta3 Zn6 -","3","0.166667","","Li, Man-Rong; Stephens, Peter W.; Retuerto, Maria; Sarkar, Tapati; Grams, Christoph P.; Hemberger, Joachim; Croft, Mark C.; Walker, David; Greenblatt, Martha","Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics.","Journal of the American Chemical Society","2014","136","24","8508","8511","10.1021/ja502774v","powder diffraction","x-ray","0.70018","","","","","","","","","0.0927","","1.15","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121998","18.23736","0.00014","4.93687","0.00004","11.96092","0.00011","90","","120.722","0.0007","90","","925.769","0.015","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Fe3 Na2 O12 P3 -","- Fe3 Na2 O12 P3 -","- Fe12 Na8 O48 P12 -","4","1","","Boucher, Florent; Gaubicher, Joël; Cuisinier, Marine; Guyomard, Dominique; Moreau, Philippe","Elucidation of the Na2/3FePO4 and Li2/3FePO4 Intermediate Superstructure Revealing a Pseudouniform Ordering in 2D.","Journal of the American Chemical Society","2014","136","25","9144","9157","10.1021/ja503622y","powder diffraction","","0.725633","synchrotron","","","","","","","","","1.3528","0.777","","","","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121999","9.2633","0.0002","9.369","0.0002","9.9779","0.0002","90","","90","","90","","865.96","0.03","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Wang, Sen; Wen, Xin; DeVries, Arthur L.; Bagdagulyan, Yelena; Morita, Alexander; Golen, James A.; Duman, John G.; Rheingold, Arnold L.","Molecular Recognition of Methyl α-d-Mannopyranoside by Antifreeze (Glyco)Proteins.","Journal of the American Chemical Society","2014","136","25","8973","8981","10.1021/ja502837t","","","1.54178","CuKα","","0.0233","0.0232","","","0.0685","0.0687","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122000","13.8684","0.0001","14.978","0.0002","39.1771","0.0003","90","","94.9953","0.0008","90","","8106.99","0.14","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Rh(XantPhos)(H)(BHNiPr2)(MeCN)][BArF4]","","- C79 H63 B2 F24 N2 O P2 Rh -","- C79 H63 B2 F24 N2 O P2 Rh -","- C316 H252 B8 F96 N8 O4 P8 Rh4 -","4","1","","Johnson, Heather C.; Leitao, Erin M.; Whittell, George R.; Manners, Ian; Lloyd-Jones, Guy C; Weller, Andrew S.","Mechanistic studies of the dehydrocoupling and dehydropolymerization of amine-boranes using a [rh(xantphos)](+) catalyst.","Journal of the American Chemical Society","2014","136","25","9078","9093","10.1021/ja503335g","","","1.5418","CuKα","","0.0516","0.0454","","0.1093","0.107","0.1093","","","","","","0.9908","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122001","11.393","0.003","16.693","0.004","11.163","0.002","90","","119.083","0.004","90","","1855.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Si2 -","- C42 H52 Si2 -","- C84 H104 Si4 -","2","0.5","","Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.","Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.","Journal of the American Chemical Society","2014","136","25","9181","9189","10.1021/ja503870z","","","0.71073","MoKα","","0.097","0.0824","","","0.1955","0.2037","","","","","","1.098","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122002","15.372","0.005","15.458","0.005","20.271","0.006","84.859","0.004","78.483","0.004","75.506","0.004","4566","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H140 O14 Rb2 Si2 -","- C92 H140 O14 Rb2 Si2 -","- C184 H280 O28 Rb4 Si4 -","2","1","","Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.","Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.","Journal of the American Chemical Society","2014","136","25","9181","9189","10.1021/ja503870z","","","0.71073","Mo-Kα","","0.1989","0.0801","","","0.1379","0.1704","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122003","8.8308","0.001","12.06","0.0013","14.1805","0.0015","79.933","0.003","89.743","0.003","77.696","0.003","1452","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Mo2 O6 -","- C30 H34 Mo2 O6 -","- C60 H68 Mo4 O12 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0815","0.0586","","","0.1565","0.1742","","","","","","1.096","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122004","12.964","0.0007","17.3636","0.0008","18.9563","0.0008","90","","109.657","0.003","90","","4018.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Mo2 O6 -","- C42 H58 Mo2 O6 -","- C168 H232 Mo8 O24 -","4","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.1248","0.0591","","","0.1397","0.1735","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122005","8.6722","0.0004","14.788","0.0006","23.1393","0.001","90.411","0.002","91.901","0.002","91.848","0.001","2964.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 F9 Mo2 O6 -","- C28 H21 F9 Mo2 O6 -","- C112 H84 F36 Mo8 O24 -","4","2","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0435","0.0305","","","0.0646","0.0687","","","","","","1.035","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122006","12.196","0.003","17.152","0.004","18.742","0.003","90","","92.469","0.005","90","","3916.9","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 F9 Mo2 O6 -","- C36 H37 F9 Mo2 O6 -","- C144 H148 F36 Mo8 O24 -","4","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.048","0.0353","","","0.0854","0.0908","","","","","","1.045","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122007","10.7561","0.0006","12.1811","0.0006","33.4375","0.0018","81.079","0.002","89.802","0.002","87.103","0.002","4322.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H94 F12 Mo4 O9 -","- C100 H94 F12 Mo4 O9 -","- C200 H188 F24 Mo8 O18 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0726","0.0516","","","0.1323","0.1421","","","","","","1.057","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122008","12.746","0.0006","13.7441","0.0007","16.6183","0.0008","82.265","0.001","83.126","0.001","82.649","0.001","2845.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 F6 Mo2 O4 -","- C64 H74 F6 Mo2 O4 -","- C128 H148 F12 Mo4 O8 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0439","0.0342","","","0.0942","0.0988","","","","","","1.089","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122009","10.6961","0.0006","12.2227","0.0007","33.5128","0.0019","98.871","0.001","90.005","0.001","92.874","0.001","4323.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 F6 O4 W2 -","- C48 H42 F6 O4 W2 -","- C192 H168 F24 O16 W8 -","4","2","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.041","0.0352","","","0.0813","0.0843","","","","","","1.044","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122010","12.1829","0.0001","16.7868","0.0002","18.386","0.0002","109.558","0.0006","104.235","0.0006","90.7803","0.0004","3415.41","0.06","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0559","0.0506","","","0.1385","0.1431","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122011","12.1984","0.0001","16.88","0.0002","18.4383","0.0002","109.598","0.0006","104.431","0.0006","90.62","0.0005","3445.24","0.06","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.057","0.0502","","","0.1402","0.1456","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122012","12.2235","0.0001","16.9976","0.0002","18.4928","0.0002","109.685","0.0007","104.677","0.0007","90.4584","0.0005","3481.22","0.07","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0617","0.0516","","","0.1481","0.1578","","","","","","1.081","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122013","12.2273","0.0002","18.0447","0.0004","18.8044","0.0004","115.092","0.0009","104.766","0.0009","95.9712","0.0006","3525.16","0.13","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.1001","0.0708","","","0.2125","0.2358","","","","","","1.094","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122014","12.51","0.0003","18.0407","0.0005","18.8888","0.0006","111.689","0.0014","104.642","0.001","102.258","0.0011","3604.13","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0943","0.0763","","","0.2256","0.25","","","","","","1.06","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122015","20.8477","0.0004","11.8734","0.0002","16.0707","0.0003","90","","109.47","0.001","90","","3750.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Ir O P2 -","- C41 H55 Ir O P2 -","- C164 H220 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","1.54178","CuKα","","0.0438","0.0406","","","0.0864","0.0881","","","","","","1","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122016","12.5713","0.0006","12.3816","0.0006","38.9538","0.0018","90","","96.22","0.001","90","","6027.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 B F24 Ir O P2 -","- C57 H56 B F24 Ir O P2 -","- C228 H224 B4 F96 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0395","0.0336","","","0.0754","0.0781","","","","","","1.004","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122017","15.8713","0.0009","11.7642","0.0007","16.8804","0.001","90","","90","","90","","3151.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H49 Ir O P2 -","- C33 H49 Ir O P2 -","- C132 H196 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0574","0.0377","","","0.0889","0.0989","","","","","","1.006","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122018","6.0841","0.0005","15.6924","0.0012","22.5997","0.0018","90","","90","","90","","2157.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O2 S2 -","- C25 H27 N O2 S2 -","- C100 H108 N4 O8 S8 -","4","1","","Denmark, Scott E.; Chi, Hyung Min","Lewis base catalyzed, enantioselective, intramolecular sulfenoamination of olefins.","Journal of the American Chemical Society","2014","136","25","8915","8918","10.1021/ja5046296","","","0.71073","MoKα","","0.0272","0.0253","","","0.0625","0.0634","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122019","14.8695","0.0015","15.973","0.002","37.274","0.004","90","","90","","90","","8853","1.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C41.59 H60.47 B11 Cl0.7 F Fe N2 O -","- C41.59 H60.475 B11 Cl0.705 F Fe N2 O -","- C332.72 H483.8 B88 Cl5.64 F8 Fe8 N16 O8 -","8","2","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.096","0.061","","","0.1396","0.1563","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122020","8.4495","0.0007","5.1247","0.0004","14.4009","0.0012","90","","95.193","0.004","90","","621.02","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 Br F N O -","- C12 H15 Br F N O -","- C24 H30 Br2 F2 N2 O2 -","2","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0361","0.0343","","","0.0842","0.0856","","","","","","1.092","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122021","21.7099","0.0011","21.7099","0.0011","5.3925","0.0003","90","","90","","120","","2201.1","0.2","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C16 H15 Cl F N O -","- C16 H15 Cl F N O -","- C96 H90 Cl6 F6 N6 O6 -","6","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0591","0.0407","","","0.0932","0.0989","","","","","","1.037","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122022","9.3319","0.0003","11.6691","0.0003","17.0064","0.0005","80.349","0.001","75.238","0.001","88.035","0.001","1765.37","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H54 Al B N2 O2 -","- C35 H54 Al B N2 O2 -","- C70 H108 Al2 B2 N4 O4 -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0641","0.0506","","","0.1412","0.1532","","","","","","1.032","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122023","11.9759","0.0009","12.3948","0.0008","24.9637","0.0017","104.188","0.003","93.639","0.004","90.242","0.004","3584.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H100 Al2 N6 O0.5 -","- C72 H98 Al2 N6 O0.5 -","- C144 H196 Al4 N12 O -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.1329","0.0689","","","0.1628","0.1955","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122024","17.2991","0.0007","12.1331","0.0006","18.0903","0.0008","90","","100.282","0.002","90","","3736","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Al N2 P -","- C41 H52 Al N2 P -","- C164 H208 Al4 N8 P4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0631","0.05","","","0.1387","0.1516","","","","","","1.012","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122025","12.0366","0.0012","12.3508","0.0013","12.6164","0.0013","70.633","0.006","87.367","0.006","79.059","0.006","1737","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 Al N2 Si -","- C36 H51 Al N2 Si -","- C72 H102 Al2 N4 Si2 -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0651","0.0484","","","0.1178","0.1277","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122026","8.9717","0.0003","19.8654","0.0007","10.1194","0.0004","90","","113.658","0.002","90","","1651.97","0.11","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H52 Al N3 -","- C33 H52.4 Al N3 -","- C66 H104.8 Al2 N6 -","2","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0629","0.0457","","","0.1173","0.1286","","","","","","1.026","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122027","16.3923","0.0004","19.852","0.0006","21.4153","0.0006","90","","90","","90","","6969","0.3","200","2","200","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C39 H57 Al N2 -","- C39 H58 Al N2 -","- C312 H464 Al8 N16 -","8","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0652","0.0453","","","0.1171","0.1336","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122028","9.633","0.0005","16.9749","0.0008","20.9503","0.001","90","","93.418","0.003","90","","3419.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Al N2 O0.25 Si -","- C35 H49 Al N2 O0.25 Si -","- C140 H196 Al4 N8 O Si4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0898","0.0488","","","0.1168","0.1326","","","","","","1.039","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122029","13.2522","0.0003","16.5975","0.0004","15.2587","0.0003","90","","107.769","0.0012","90","","3196.1","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Al N2 O -","- C32 H48 Al N2 O -","- C128 H192 Al4 N8 O4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0898","0.0581","","","0.1495","0.1708","","","","","","1.018","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122033","5.5232","0.0002","11.0315","0.0003","39.7408","0.0012","90","","93.57","0.002","90","","2416.68","0.13","150","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 N2 O16 -","- C54 H54 N2 O16 -","- C108 H108 N4 O32 -","2","0.5","","Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.","Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.","Journal of the American Chemical Society","2014","136","25","8863","8866","10.1021/ja503296c","","","1.54178","CuKα","","0.071","0.0479","","","0.1086","0.1201","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122034","7.9219","0.0004","10.4568","0.0006","16.3932","0.0008","100.853","0.0015","95.5763","0.0018","110.996","0.0016","1224.9","0.11","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O8 S2 -","- C24 H27 N O8 S2 -","- C48 H54 N2 O16 S4 -","2","1","","Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.","Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.","Journal of the American Chemical Society","2014","136","25","8863","8866","10.1021/ja503296c","","","0.71073","MoKα","","0.0521","0.0406","","","0.1004","0.1091","","","","","","1.057","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122035","16.1856","0.0003","12.0875","0.0002","23.5168","0.0005","90","","97.063","0.001","90","","4565.99","0.15","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 B F10 N P Si -","- C48 H49 B F10 N P Si -","- C192 H196 B4 F40 N4 P4 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0855","0.058","","","0.1233","0.1423","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122036","12.1881","0.0007","18.7211","0.0006","18.1264","0.0003","90","","106.404","0.002","90","","3967.6","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 B F10 O P Si -","- C43 H40 B F10 O P Si -","- C172 H160 B4 F40 O4 P4 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0479","0.0417","","","0.1048","0.1097","","","","","","1.046","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122037","11.1782","0.0005","12.0098","0.0003","19.3517","0.0008","89.538","0.003","81.596","0.006","81.189","0.004","2539.43","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H45 B F10 P2 Si -","- C49 H45 B F10 P2 Si -","- C98 H90 B2 F20 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0642","0.0554","","","0.1553","0.1623","","","","","","1.058","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122038","20.1442","0.0002","11.9215","0.0002","24.2551","0.0004","90","","102.698","0.001","90","","5682.38","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 B F10 P2 Si -","- C51 H49 B F10 P2 Si -","- C204 H196 B4 F40 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.1142","0.0766","","","0.1871","0.2069","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122039","15.6091","0.0002","12.6864","0.0002","26.4298","0.0004","90","","103.002","0.001","90","","5099.53","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B F10 N P2 Si -","- C54 H54 B F10 N P2 Si -","- C216 H216 B4 F40 N4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0787","0.0576","","","0.1176","0.1313","","","","","","1.084","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122040","11.2375","0.0002","13.2532","0.0003","24.0806","0.0005","92.337","0.003","90.876","0.002","104.432","0.003","3469.13","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H49 B2 Cl2 F25 P2 Si -","- C68 H49 B2 Cl2 F25 P2 Si -","- C136 H98 B4 Cl4 F50 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0952","0.0564","","","0.1314","0.1472","","","","","","1.054","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122041","13.3931","0.0008","23.7899","0.0008","17.4115","0.0014","90","","94.329","0.004","90","","5531.8","0.6","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B F10 N O2 P2 Si -","- C49 H45 B F10 N O2 P2 Si -","- C196 H180 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0487","0.0455","","","0.1391","0.1425","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122042","12.9178","0.0004","21.3427","0.0008","17.9706","0.0008","90","","100.694","0.002","90","","4868.5","0.3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 B F10 N O2 P2 Si -","- C51 H49 B F10 N O2 P2 Si -","- C204 H196 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.1424","0.0612","","","0.1232","0.1656","","","","","","1.025","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122043","11.8792","0.0002","17.618","0.0002","12.1326","0.0002","90","","112.627","0.001","90","","2343.76","0.06","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H46 B F10 N O2 P2 Si -","- C49 H46 B F10 N O2 P2 Si -","- C98 H92 B2 F20 N2 O4 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0535","0.0479","","","0.1024","0.1073","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122044","12.9937","0.0003","21.4524","0.0005","17.7094","0.0004","90","","100.488","0.002","90","","4854","0.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 B F10 N O2 P2 Si -","- C51 H50 B F10 N O2 P2 Si -","- C204 H200 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0498","0.0432","","","0.1124","0.1173","","","","","","1.032","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122045","12.1747","0.0009","12.7333","0.0004","13.6728","0.0008","88.238","0.004","88.482","0.007","72.921","0.004","2024.8","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 B F10 N P Si -","- C42 H37 B F10 N P Si -","- C84 H74 B2 F20 N2 P2 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0542","0.044","","","0.1091","0.1171","","","","","","1.011","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122046","20.9782","0.0002","11.7319","0.0002","21.7537","0.0003","90","","115.971","0.001","90","","4813.23","0.12","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 B Cl2 F10 O P2 Si -","- C50 H47 B Cl2 F10 O P2 Si -","- C200 H188 B4 Cl8 F40 O4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0966","0.068","","","0.136","0.1538","","","","","","1.119","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122047","13.994","0.0002","20.2817","0.0004","18.9835","0.0003","90","","109.897","0.002","90","","5066.31","0.16","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B F10 O P2 Si -","- C54 H52 B F10 O P2 Si -","- C216 H208 B4 F40 O4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0653","0.0501","","","0.1108","0.1222","","","","","","1.09","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122048","10.5872","0.0001","11.9366","0.0002","20.6634","0.0004","76.427","0.001","89.214","0.001","66.986","0.001","2327.47","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 B F10 P2 S Si -","- C49 H45 B F10 P2 S Si -","- C98 H90 B2 F20 P4 S2 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0615","0.0534","","","0.1284","0.1364","","","","","","1.082","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122049","9.8211","0.0004","15.0223","0.0006","17.9364","0.0007","100.453","0.0014","101.946","0.0016","96.728","0.0017","2512.85","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H86 N2 O2 Si2 -","- C54 H86 N2 O2 Si2 -","- C108 H172 N4 O4 Si4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","1.54178","CuKα","","0.0441","0.0405","","","0.1062","0.1091","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122050","12.0658","0.0006","23.2378","0.0012","17.4312","0.0009","90","","97.8342","0.0013","90","","4841.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H158 K2 N4 O4 Si4 -","- C102 H158 K2 N4 O4 Si4 -","- C204 H316 K4 N8 O8 Si8 -","2","0.5","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","1.54178","CuKα","","0.056","0.0473","","","0.1276","0.1364","","","","","","1.041","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122051","12.79","0.02","13.783","0.009","14.433","0.019","66.35","0.06","79.58","0.1","67.48","0.07","2152","5","23","2","23","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","0.4769","synchrotron","","0.1285","0.0641","","","0.1418","0.1721","","","","","","1.035","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122052","9.07","0.0007","10.0886","0.0008","23.115","0.0018","90","","91.0402","0.0009","90","","2114.8","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","Kou, Kevin G. M.; Le, Diane N.; Dong, Vy M.","Rh(I)-catalyzed intermolecular hydroacylation: enantioselective cross-coupling of aldehydes and ketoamides.","Journal of the American Chemical Society","2014","136","26","9471","9476","10.1021/ja504296x","","","0.71073","MoKα","","0.0368","0.0334","","","0.0844","0.0865","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122053","43.3194","0.0012","16.5468","0.0004","26.151","0.0007","90","","126.807","0.001","90","","15008.3","0.7","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C150 H138 Au2 B2 Cl4 F54 N2 O2 P2 -","- C150 H138 Au2 B2 Cl4 F54 N2 O2 P2 -","- C600 H552 Au8 B8 Cl16 F216 N8 O8 P8 -","4","0.5","","Wang, Zhixun; Wang, Yanzhao; Zhang, Liming","Soft propargylic deprotonation: designed ligand enables au-catalyzed isomerization of alkynes to 1,3-dienes.","Journal of the American Chemical Society","2014","136","25","8887","8890","10.1021/ja503909c","","","0.71073","MoKα","","0.048","0.0327","","","0.0807","0.0928","","","","","","1.043","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122054","12.5918","0.0005","13.5842","0.0005","13.9675","0.0005","107.425","0.002","92.766","0.002","116.936","0.002","1984.13","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H56 Au Cl F3 N2 O P -","- C43 H56 Au Cl F3 N2 O P -","- C86 H112 Au2 Cl2 F6 N4 O2 P2 -","2","1","","Wang, Zhixun; Wang, Yanzhao; Zhang, Liming","Soft propargylic deprotonation: designed ligand enables au-catalyzed isomerization of alkynes to 1,3-dienes.","Journal of the American Chemical Society","2014","136","25","8887","8890","10.1021/ja503909c","","","0.71073","MoKα","","0.0376","0.0284","","","0.0539","0.0565","","","","","","0.987","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122055","16.735","0.0008","9.6686","0.0005","16.2668","0.0007","90","","93.017","0.002","90","","2628.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl4 N2 O Pd -","- C23 H31 Cl4 N2 O Pd -","- C92 H124 Cl16 N8 O4 Pd4 -","4","1","","Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar","Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.","Journal of the American Chemical Society","2014","136","33","11574","11577","10.1021/ja502164f","","","0.71073","MoKα","","0.0318","0.0255","","","0.0619","0.0648","","","","","","1.03","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122056","9.0399","0.0005","9.7093","0.0005","23.0313","0.0013","98.706","0.005","90.011","0.005","117.738","0.004","1762.79","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H46 Cl Co N2 O1.5 Pd -","- C38 H46 Cl Co N2 O1.5 Pd -","- C76 H92 Cl2 Co2 N4 O3 Pd2 -","2","1","","Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar","Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.","Journal of the American Chemical Society","2014","136","33","11574","11577","10.1021/ja502164f","","","0.71073","MoKα","","0.063","0.0498","","","0.1214","0.1396","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122057","5.1028","0.0001","17.2111","0.0005","25.2391","0.0008","90","","90","","90","","2216.62","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F6 N O5 -","- C21 H25 F6 N O5 -","- C84 H100 F24 N4 O20 -","4","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1279","0.0496","","","0.0562","0.0721","","","","","","0.801","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122058","25.1348","0.0005","25.1348","0.0005","25.1011","0.0005","90","","90","","120","","13733.3","0.5","110","2","110","2","","","","","","","","5","P 65","P 65","170","","","","- C84 H100 F24 N4 O20 -","- C84 H100 F24 N4 O20 -","- C504 H600 F144 N24 O120 -","6","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1111","0.0752","","","0.1849","0.2331","","","","","","1.099","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122059","9.5211","0.0002","19.4189","0.0004","10.1228","0.0002","90","","96.4133","0.001","90","","1859.88","0.07","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O3 S -","- C19 H20 Cl N O3 S -","- C76 H80 Cl4 N4 O12 S4 -","4","2","","Ebe, Yusuke; Nishimura, Takahiro","Iridium-catalyzed annulation of salicylimines with 1,3-dienes.","Journal of the American Chemical Society","2014","136","26","9284","9287","10.1021/ja504990a","","","1.54187","CuKα","","0.0804","0.0589","","","0.13","0.1451","","","","","","0.972","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122060","30.209","0.003","43.725","0.004","53.802","0.005","71.624","0.005","86.963","0.006","76.89","0.005","65672","11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C470 H396 Cd12 F144 N73 O4 P23 S2 -","- C470 H396 Cd12 F73.875 N73 O4 P12 S2 -","- C1880 H1584 Cd48 F295.5 N292 O16 P48 S8 -","4","2","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","1.54178","CuKα","","0.1898","0.1587","","","0.4192","0.4374","","","","","","1.499","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122061","90.44","0.006","30.343","0.002","48.451","0.004","90","","103.24","0.002","90","","129426","16","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C472 H396 As22 Cd12 F144 N74 O8 S4 -","- C471.25 H396 As17 Cd12 F111.25 N73.5 O6 S3.232 -","- C3770 H3168 As136 Cd96 F890 N588 O48 S25.856 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","1.54178","CuKα","","0.1495","0.1272","","","0.346","0.3725","","","","","","1.434","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122062","80.943","0.009","26.679","0.003","45.354","0.005","90","","108.199","0.005","90","","93042","18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C393 H335.5 Cd10 Cl19 F2 N61.5 O76 -","- C393 H335.06 Cd10 Cl14.5 F2 N61.5 O58 -","- C3144 H2680.48 Cd80 Cl116 F16 N492 O464 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.6889","synchrotron","","0.1746","0.1226","","","0.3315","0.3524","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122063","42.0604","0.0017","25.907","0.0011","41.977","0.002","90","","90.464","0.002","90","","45739","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C332 H294 Cd8 Cl16 N58 O64 -","- C332 H294 Cd8 Cl12.5 N58 O50.05 -","- C1328 H1176 Cd32 Cl50 N232 O200.2 -","4","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.6889","synchrotron","","0.1338","0.1087","","","0.3111","0.3354","","","","","","1.107","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122064","18.038","0.004","22.427","0.005","26.77","0.005","91.08","0.03","108.97","0.03","95.93","0.03","10171","4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H119 As4.88 F38.62 Fe4 N26 O9.88 S3.12 -","- C150 H119 As4.875 F29.25 Fe4 N26 O0.5 -","- C300 H238 As9.75 F58.5 Fe8 N52 O -","2","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.71073","MoKα","","0.2071","0.1402","","","0.3626","0.3926","","","","","","1.174","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122065","12.2745","0.0005","16.2308","0.0006","16.6941","0.0007","62.182","0.002","75.337","0.002","79.711","0.002","2838.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Co(S2PhBr2)2","","","- C56 H32 Br8 Co2 S8 -","- C56 H32 Br8 Co2 S8 -","- C112 H64 Br16 Co4 S16 -","2","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.1134","0.0657","","","0.1271","0.1476","","","","","","1.137","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122066","10.5253","0.0006","11.737","0.0006","16.2361","0.0009","106.109","0.002","106.605","0.002","91.902","0.002","1832.79","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 Br8 Co2 N S8 -","- C72 H68 Br8 Co2 N S8 -","- C72 H68 Br8 Co2 N S8 -","1","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0574","0.035","","","0.0662","0.0731","","","","","","1.034","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122067","8.9456","0.0005","17.3494","0.0011","18.658","0.0012","112.136","0.003","103.601","0.003","93.658","0.003","2569.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H60 Br4 Co N O1.5 S4 -","- C50 H60 Br4 Co N O1.5 S4 -","- C100 H120 Br8 Co2 N2 O3 S8 -","2","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.045","0.0345","","","0.0771","0.0819","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122068","17.0015","0.001","20.7933","0.0011","18.611","0.0009","90","","108.792","0.003","90","","6228.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Br4 Co N2 S4 -","- C60 H88 Br4 Co N2 S4 -","- C240 H352 Br16 Co4 N8 S16 -","4","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.1157","0.0524","","","0.0994","0.119","","","","","","1.016","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122069","35.357","0.002","5.8724","0.0004","18.3834","0.0016","90","","120.376","0.008","90","","3293","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co F4 K2 N2 S4 -","- C32 H22 Co F4 K2 N2 S4 -","- C128 H88 Co4 F16 K8 N8 S16 -","4","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0453","0.033","","","0.0686","0.074","","","","","","1.058","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122070","8.1573","0.0003","13.882","0.0005","14.4088","0.0005","85.314","0.002","87.963","0.002","77.283","0.002","1586.04","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Co F4 N2 S4 -","- C60 H88 Co F4 N2 S4 -","- C60 H88 Co F4 N2 S4 -","1","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0488","0.042","","","0.1081","0.1121","","","","","","1.022","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122071","9.1467","0.0006","9.7853","0.0006","53.773","0.003","90","","93.581","0.001","90","","4803.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Co N O4 S4 -","- C48 H64 Co N O4 S4 -","- C192 H256 Co4 N4 O16 S16 -","4","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0769","0.0629","","","0.1384","0.1444","","","","","","1.04","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122072","12.3089","0.0003","21.3544","0.0005","15.6623","0.0004","90","","92.315","0.001","90","","4113.46","0.17","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co4 H52 K10 O94 V2 W18 -","- Co4 H4 K10 O94 V2 W18 -","- Co8 H8 K20 O188 V4 W36 -","2","0.5","","Lv, Hongjin; Song, Jie; Geletii, Yurii V.; Vickers, James W.; Sumliner, Jordan M.; Musaev, Djamaladdin G.; Kögerler, Paul; Zhuk, Petro F.; Bacsa, John; Zhu, Guibo; Hill, Craig L.","An exceptionally fast homogeneous carbon-free cobalt-based water oxidation catalyst.","Journal of the American Chemical Society","2014","136","26","9268","9271","10.1021/ja5045488","","","0.71073","MoKα","","0.0272","0.0243","","","0.059","0.0604","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122073","8.7807","0.0014","29.348","0.005","15.246","0.003","90","","99.83","0.003","90","","3871.2","1.2","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Al Li O2 Si2 -","- C36 H66 Al Li O2 Si2 -","- C144 H264 Al4 Li4 O8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0815","0.0601","","","0.1368","0.1503","","","","","","1.067","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122074","13.009","0.003","28.949","0.006","13.956","0.003","90","","108.554","0.003","90","","4982.6","1.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 Al Li O6 Si2 -","- C44 H86 Al Li O6 Si2 -","- C176 H344 Al4 Li4 O24 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0937","0.0683","","","0.1438","0.1646","","","","","","1.139","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122075","12.9728","0.0019","34.25","0.006","15.554","0.002","90","","90","","90","","6910.9","1.8","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H55 Al2 Cl3 Si2 -","- C27 H55 Al2 Cl3 Si2 -","- C216 H440 Al16 Cl24 Si16 -","8","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0698","0.0544","","","0.1087","0.1157","","","","","","1.117","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122076","14.153","0.002","13.6408","0.0019","17.227","0.003","90","","112.442","0.0017","90","","3073.9","0.8","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Al Cl N Si2 -","- C28 H51 Al Cl N Si2 -","- C112 H204 Al4 Cl4 N4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0485","0.0412","","","0.096","0.1009","","","","","","1.122","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122077","13.647","0.002","14.003","0.003","15.254","0.003","89.876","0.009","64.988","0.004","86.602","0.009","2636.2","0.9","93.15","","93.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H88 Al Li N4 O Si2 -","- C52 H88 Al Li N4 O Si2 -","- C104 H176 Al2 Li2 N8 O2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.1202","0.0774","","","0.1733","0.2041","","","","","","1.074","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122078","15.492","0.003","14.104","0.002","18.855","0.003","90","","100.533","0.003","90","","4050.4","1.2","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H69 Al N2 Si2 -","- C40 H69 Al N2 Si2 -","- C160 H276 Al4 N8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.1008","0.0782","","","0.1983","0.2172","","","","","","1.111","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122079","16.384","0.004","13.579","0.003","20.445","0.005","90","","106.926","0.004","90","","4351.5","1.8","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Fe K N2 O8 S2 -","- C12 H26 Fe K N2 O8 S2 -","- C96 H208 Fe8 K8 N16 O64 S16 -","8","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0868","0.0432","","","0.1043","0.1307","","","","","","0.864","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122080","34.5442","0.0008","9.0153","0.0002","22.9192","0.0005","90","","95.511","0.001","90","","7104.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Fe N3 O2 P2 S2 -","- C36 H32 Fe N3 O2 P2 S2 -","- C288 H256 Fe8 N24 O16 P16 S16 -","8","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0704","0.0522","","","0.1523","0.1746","","","","","","1.103","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122081","21.6622","0.0006","13.1205","0.0004","23.844","0.0007","90","","103.024","0.001","90","","6602.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H62 Fe2 N4 O2 P4 S4 -","- C72 H62 Fe2 N4 O2 P4 S4 -","- C288 H248 Fe8 N16 O8 P16 S16 -","4","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0476","0.0342","","","0.0856","0.0928","","","","","","1.014","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122082","21.6245","0.0011","13.2431","0.0007","23.8643","0.0011","90","","102.949","0.0012","90","","6660.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Fe N P2 S3 -","- C36 H32 Fe N P2 S3 -","- C288 H256 Fe8 N8 P16 S24 -","8","2","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0724","0.0406","","","0.0857","0.0972","","","","","","1","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122083","33.628","0.013","15.646","0.006","17.339","0.005","90","","113.81","0.013","90","","8346","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cl Cr O2 P2 Rh -","- C48 H42 Cl Cr O2 P2 Rh -","- C384 H336 Cl8 Cr8 O16 P16 Rh8 -","8","1","","Ogasawara, Masamichi; Tseng, Ya-Yi; Arae, Sachie; Morita, Tomotaka; Nakaya, Takeshi; Wu, Wei-Yi; Takahashi, Tamotsu; Kamikawa, Ken","Phosphine-Olefin Ligands Based on a Planar-Chiral (π-Arene)chromium Scaffold: Design, Synthesis, and Application in Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","26","9377","9384","10.1021/ja503060e","","","0.71075","MoKα","","0.1332","0.0572","","","0.1407","0.1813","","","","","","0.969","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122084","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","33","2","33","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.1359","0.1222","","","0.2218","0.2291","","","","","","1.93","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122085","13.6662","0.0011","13.6662","0.0011","15.052","0.002","90","","90","","90","","2811.2","0.5","100","2","100","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.11","0.0983","","","0.2062","0.2123","","","","","","1.778","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122086","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","213","2","213","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","Ru2(m-DAniF)4BF4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0807","0.0719","","","0.1649","0.1697","","","","","","1.397","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122087","13.8927","0.0005","13.8927","0.0005","15.0744","0.0011","90","","90","","90","","2909.5","0.3","298","2","298","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0608","0.0541","","","0.1408","0.1452","","","","","","1.721","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122088","34.572","0.006","12.945","0.002","12.682","0.002","90","","90","","90","","5675.6","1.6","27","2","27","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0818","0.0595","","","0.1272","0.1353","","","","","","1.873","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122089","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0623","0.039","","","0.0823","0.0926","","","","","","1.202","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122090","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0853","0.0441","","","0.0848","0.1007","","","","","","1.144","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122091","5.9971","0.0015","9.656","0.002","13.868","0.003","101.487","0.005","101.758","0.005","93.65","0.005","765.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Blaisdell, Thomas P.; Caya, Thomas C.; Zhang, Liang; Sanz-Marco, Amparo; Morken, James P.","Hydroxyl-directed stereoselective diboration of alkenes.","Journal of the American Chemical Society","2014","136","26","9264","9267","10.1021/ja504228p","","","0.71073","MoKα","","0.1142","0.0563","","","0.1102","0.1303","","","","","","1.034","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122092","7.8788","0.0004","16.7537","0.0009","25.9266","0.0013","90","","90","","90","","3422.3","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diethyl-4-(4-methylstyryl)benzamide","","- C20 H23 N O -","- C20 H22 N O -","- C160 H176 N8 O8 -","8","2","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","x-ray","1.54187","CuKα","","","0.096","","","","0.3222","","","","","","1.026","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122093","15.564","0.004","16.3801","0.0016","13.74","0.008","90","","109.64","0.04","90","","3299","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RhPh2(cod) Li(dme)3","tris(1,2-dimethoxyethane)lithium (h4-1,5-cyclooctadiene)diphenylrhodate(I)","","- C32 H52 Li O6 Rh -","- C32 H44 Li O6 Rh -","- C128 H176 Li4 O24 Rh4 -","4","0.5","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","","0.71075","MoKα","","","0.0603","","","","0.1416","","","","","","1.004","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122094","8.5537","0.001","31.875","0.003","10.6466","0.0012","90","","90.014","0.002","90","","2902.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C9 H41 Cl Co La N3 O24 P3 -","- C9 H41 Cl Co La N3 O24 P3 -","- C36 H164 Cl4 Co4 La4 N12 O96 P12 -","4","1","","Bao, Song-Song; Otsubo, Kazuya; Taylor, Jared M.; Jiang, Zheng; Zheng, Li-Min; Kitagawa, Hiroshi","Enhancing Proton Conduction in 2D Co-La Coordination Frameworks by Solid-State Phase Transition.","Journal of the American Chemical Society","2014","136","26","9292","9295","10.1021/ja505916c","","","0.71073","MoKα","","0.0474","0.0349","","","0.078","0.082","","","","","","1","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122095","14.8972","0.0006","16.7644","0.0008","37.8928","0.0016","90","","91.327","0.004","90","","9460.9","0.7","179.98","0.16","179.98","0.16","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H11.5 F20 N6 O4 Zn -","- C49.5 H11.5 F20 N6 O4 Zn -","- C396 H92 F160 N48 O32 Zn8 -","8","1","","Ke, Xian-Sheng; Chang, Yi; Chen, Jia-Zhen; Tian, Jiangwei; Mack, John; Cheng, Xin; Shen, Zhen; Zhang, Jun-Long","Porphodilactones as Synthetic Chlorophylls: Relative Orientation of β-Substituents on a Pyrrolic Ring Tunes NIR Absorption.","Journal of the American Chemical Society","2014","136","27","9598","9607","10.1021/ja502729x","","","0.71073","MoKα","","0.1126","0.0802","","","0.2278","0.2551","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122096","11.871","0.002","13.856","0.003","17.697","0.004","100.09","0.03","107.95","0.03","97.64","0.03","2671.5","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H18 F20 N6 O5.5 Zn -","- C52.5 H14 F20 N6 O5.5 Zn -","- C105 H28 F40 N12 O11 Zn2 -","2","1","","Ke, Xian-Sheng; Chang, Yi; Chen, Jia-Zhen; Tian, Jiangwei; Mack, John; Cheng, Xin; Shen, Zhen; Zhang, Jun-Long","Porphodilactones as Synthetic Chlorophylls: Relative Orientation of β-Substituents on a Pyrrolic Ring Tunes NIR Absorption.","Journal of the American Chemical Society","2014","136","27","9598","9607","10.1021/ja502729x","","","0.71073","synchrotron","","0.0721","0.0672","","","0.2108","0.2162","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122097","12.5589","0.0003","14.6629","0.0005","20.7661","0.0005","96.7468","0.0012","101.435","0.0008","96.4981","0.0012","3685.45","0.18","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Mo2 N12 P4 -","- C64 H107 Mo2 N12 P4 -","- C128 H214 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0527","","","","0.1241","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122098","14.832","0.003","15.833","0.003","17.039","0.003","95.687","0.004","114.83","0.004","106.543","0.004","3369.4","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H102 Mo2 N12 P4 -","- C57 H102 Mo2 N12 P4 -","- C114 H204 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.046","","","","0.0964","","","","","","1.012","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122099","24.7796","0.0009","21.6001","0.0009","13.6238","0.0006","90","","103.738","0.001","90","","7083.4","0.5","173.1","","173.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H118 Mo2 N12 P4 -","- C60 H118 Mo2 N12 P4 -","- C240 H472 Mo8 N48 P16 -","4","0.5","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.042","","","","0.1031","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122100","31.2829","0.0012","10.0768","0.0004","21.9085","0.0007","90","","111.716","0.0009","90","","6416.1","0.4","183","","183","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H104 Mo2 N12 O2 P4 -","- C54 H90 Mo2 N12 O2 P4 -","- C216 H360 Mo8 N48 O8 P16 -","4","0.5","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0719","","","","0.0888","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122101","13.2161","0.0006","14.3784","0.0008","15.8066","0.0007","90","","90","","90","","3003.7","0.3","173.1","","173.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 Cl3 Mo N P2 -","- C24 H45 Cl3 Mo N P2 -","- C96 H180 Cl12 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0273","","","","0.0743","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122102","17.0832","0.0003","26.3313","0.0005","30.349","0.0005","90","","90","","90","","13651.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 N2 O38 Zn -","- C103 H176 Cr7 F3 N2 O38 Zn -","- C412 H704 Cr28 F12 N8 O152 Zn4 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","","1.54178","CuKα","","0.0629","0.0495","","","0.1192","0.1267","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122103","17.1445","0.0003","26.2806","0.0004","30.3604","0.0003","90","","90","","90","","13679.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 Mn N2 O38 -","- C103 H176 Cr7 F3 Mn N2 O38 -","- C412 H704 Cr28 F12 Mn4 N8 O152 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","x-ray","1.54178","CuKα","","0.0716","0.0561","","","0.1361","0.1447","","","","","","1.027","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122104","9.25","0.003","10.658","0.01","12.088","0.009","100.23","0.05","99.97","0.03","91.24","0.04","1153.4","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tetrachlorodisilene stabilized by cAAC","","","- C46 H70 Cl4 N2 Si2 -","- C46 H70 Cl4 N2 Si2 -","- C46 H70 Cl4 N2 Si2 -","1","0.5","","Mondal, Kartik Chandra; Dittrich, Birger; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride.","Journal of the American Chemical Society","2014","136","27","9568","9571","10.1021/ja505817u","","","0.7293","","","0.0621","0.0598","","","0.2236","0.2245","","","","","","1.143","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122105","10.969","0.004","11.499","0.004","19.311","0.007","90","","97.829","0.004","90","","2413","1.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 Cl F20 Sb -","- C24 Cl F20 Sb -","- C96 Cl4 F80 Sb4 -","4","1","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0518","0.0356","","","0.0739","0.0813","","","","","","1.005","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122106","17.66","0.002","20.429","0.003","15.602","0.002","90","","93.314","0.002","90","","5619.4","1.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 F23 O3 S Sb -","- C25 F23 O3 S Sb -","- C200 F184 O24 S8 Sb8 -","8","2","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0509","0.0388","","","0.1202","0.1363","","","","","","1.04","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122107","16.836","0.003","16.836","0.003","8.201","0.003","90","","90","","90","","2324.6","1","110","2","110","2","","","","","","","","4","I -4","I -4","82","","","","- C48 B F40 Sb -","- C48 B F40 Sb -","- C96 B2 F80 Sb2 -","2","0.25","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0279","0.0259","","","0.0583","0.0598","","","","","","1.015","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122108","8.25345","0.00018","7.57776","0.00017","17.1862","0.0003","90","","94.4721","0.0018","90","","1071.6","0.04","110","2","110","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H6 Cl2 Cu I N -","- C8 H6 Cl2 Cu I N -","- C32 H24 Cl8 Cu4 I4 N4 -","4","1","","Pitts, Cody Ross; Bloom, Steven; Woltornist, Ryan; Auvenshine, Dillon Jay; Ryzhkov, Lev R.; Siegler, Maxime A.; Lectka, Thomas","Direct, Catalytic Monofluorination of sp(3) C-H Bonds: A Radical-Based Mechanism with Ionic Selectivity.","Journal of the American Chemical Society","2014","136","27","9780","9791","10.1021/ja505136j","","","0.71073","MoKα","","0.0186","0.0167","","","0.0389","0.0398","","","","","","1.051","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122109","13.5202","0.0002","35.6701","0.0004","17.4181","0.0002","90","","110.741","0.001","90","","7855.76","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H82 Al3 Br9 Cl2 N8 -","- C63 H82 Al3 Br9 Cl2 N8 -","- C252 H328 Al12 Br36 Cl8 N32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0595","0.0513","","","0.115","0.1213","","","","","","1.173","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122110","14.5976","0.0002","15.2398","0.0002","23.99","0.0003","90","","100.199","0.001","90","","5252.59","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 Al Br Fe N4 O8 -","- C51 H72 Al Br Fe N4 O8 -","- C204 H288 Al4 Br4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0737","0.0582","","","0.166","0.1779","","","","","","1.113","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122111","22.8641","0.0002","8.5709","0.0001","26.0274","0.0002","90","","90","","90","","5100.48","0.08","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H55 Al Fe N4 O8 -","- C51 H55 Al Fe N4 O8 -","- C204 H220 Al4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0573","0.0539","","","0.1378","0.1415","","","","","","0.849","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122112","15.7084","0.0005","12.9298","0.0004","20.6112","0.0008","90","","106.683","0.004","90","","4010.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl7 Ga N4 -","- C33 H44 Cl7 Ga N4 -","- C132 H176 Cl28 Ga4 N16 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","0.71073","MoKα","","0.0815","0.0547","","","0.0953","0.104","","","","","","1.05","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122113","17.1454","0.0001","16.9499","0.0001","16.2514","0.0001","90","","107.154","0.001","90","","4512.77","0.05","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 B0 Cl F2 Fe Ga N4 O4 -","- C47 H50 Cl F2 Fe Ga N4 O4 -","- C188 H200 Cl4 F8 Fe4 Ga4 N16 O16 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0331","0.031","","","0.0864","0.0897","","","","","","1.033","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122114","18.2078","0.0004","15.612","0.0003","15.6949","0.0004","90","","106.429","0.002","90","","4279.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Fe Ga N4 O6 -","- C43 H57 Fe Ga N4 O6 -","- C172 H228 Fe4 Ga4 N16 O24 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.1146","0.0762","","","0.1944","0.2299","","","","","","1.06","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122115","10.5213","0.0002","13.7538","0.0003","20.8719","0.0004","90","","101.581","0.002","90","","2958.84","0.1","123","2","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B10 N O2 Pt S -","- C25 H35 B10 N O2 Pt S -","- C100 H140 B40 N4 O8 Pt4 S4 -","4","1","","Prokhorov, Anton M.; Hofbeck, Thomas; Czerwieniec, Rafal; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; Yersin, Hartmut","Brightly Luminescent Pt(II) Pincer Complexes with a Sterically Demanding Carboranyl-Phenylpyridine Ligand: A New Material Class for Diverse Optoelectronic Applications.","Journal of the American Chemical Society","2014","136","27","9637","9642","10.1021/ja503220w","","","1.54184","CuKα","","0.0499","0.0457","","","0.1196","0.1236","","","","","","1.065","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122129","11.7831","0.0005","9.6543","0.0004","17.6007","0.0007","90","","96.297","0.002","90","","1990.13","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.0526","0.0416","","","0.1183","0.1294","","","","","","1.053","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122130","11.0053","0.0015","10.9876","0.0014","16.699","0.002","90","","107.056","0.006","90","","1930.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.0409","0.0344","","","0.0933","0.0984","","","","","","1.06","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122131","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122132","15.4235","0.0002","17.2123","0.0002","27.4854","0.0003","90","","101.153","0.001","90","","7158.85","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 Au3 N6 S3 -","- C39 H27 Au3 N6 S3 -","- C312 H216 Au24 N48 S24 -","8","2","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.71073","MoKα","","0.0639","0.0456","","","0.0886","0.0956","","","","","","1.087","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122133","22.1206","0.0005","15.0301","0.0003","21.6928","0.0004","90","","101.893","0.002","90","","7057.5","0.3","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Au3 N6 S3 -","- C39 H27 Au3 N6 S3 -","- C312 H216 Au24 N48 S24 -","8","1","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.7107","MoKα","","0.0851","0.0586","","","0.1358","0.1529","","","","","","1.031","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122134","16.1998","0.0005","17.4168","0.0005","19.4389","0.0006","65.66","0.003","70.6","0.003","63.329","0.003","4391.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H62 Ag Au6 Cl8 F6 N12 P S6 -","- C82 H62 Ag Au6 Cl8 F6 N12 P S6 -","- C164 H124 Ag2 Au12 Cl16 F12 N24 P2 S12 -","2","1","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.71073","MoKα","","0.0869","0.055","","","0.1235","0.142","","","","","","1.032","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122135","19.55","0.003","25.687","0.004","24.744","0.004","90","","98.171","0.002","90","","12300","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H96 Mo2 N26 O12 V3 -","- C124 H96 Mo2 N26 O12 V3 -","- C496 H384 Mo8 N104 O48 V12 -","4","1","","Pinkowicz, Dawid; Southerland, Heather; Wang, Xin-Yi; Dunbar, Kim R.","Record antiferromagnetic coupling for a 3d/4d cyanide-bridged compound.","Journal of the American Chemical Society","2014","136","28","9922","9924","10.1021/ja5044352","","","0.71073","MoKα","","0.227","0.0979","","","0.2213","0.348","","","","","","1.196","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122136","12.0364","0.0013","12.668","0.002","14.0217","0.0018","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C40 H72 B4 Cl12 Ga4 Mo4 N4 O16 Si8 -","4","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0178","0.0154","","","0.0329","0.0341","","","","","","1.079","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122137","22.48","0.003","9.9041","0.0013","26.374","0.004","90","","106.775","0.005","90","","5622.1","1.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 B2 Cl6 Fe2 Ga2 O6 P2 -","- C46 H60 B2 Cl6 Fe2 Ga2 O6 P2 -","- C184 H240 B8 Cl24 Fe8 Ga8 O24 P8 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0613","0.0428","","","0.0906","0.0967","","","","","","1.097","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122138","5.7478","0.0016","19.923","0.005","37.012","0.01","90","","90","","90","","4238","2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Br O2 -","- C24 H31 Br O2 -","- C192 H248 Br8 O16 -","8","2","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.1457","0.1315","","","0.3067","0.3137","","","","","","1.095","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122139","11.0837","0.0014","5.761","0.0007","18.212","0.002","90","","105.185","0.0016","90","","1122.3","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br Cl3 O2 -","- C22 H24 Br Cl3 O2 -","- C44 H48 Br2 Cl6 O4 -","2","1","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.0482","0.0425","","","0.0982","0.1049","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122140","18.803","0.005","6.1937","0.0015","16.084","0.004","90","","110.666","0.004","90","","1752.6","0.8","125","2","125","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.0929","0.0566","","","0.129","0.1479","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122141","6.415","0.003","11.466","0.006","12.007","0.006","110.702","0.01","93.082","0.009","97.855","0.01","813.4","0.7","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.2172","0.0718","","","0.1192","0.1511","","","","","","0.892","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122142","16.868","0.005","17.468","0.005","18.823","0.005","90","","90","","90","","5546","3","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","1","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.0986","0.0777","","","0.1651","0.1763","","","","","","1.153","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122143","17.125","0.017","17.685","0.016","19.071","0.016","90","","90","","90","","5776","9","333","2","333","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","0.5","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.1881","0.1144","","","0.2588","0.2982","","","","","","1.205","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122144","18.757","0.005","17.392","0.005","16.703","0.004","90","","90","","90","","5449","3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","2","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.057","0.0485","","","0.1027","0.1076","","","","","","1.078","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122145","7.848","0.003","13.118","0.005","13.512","0.005","91.063","0.005","95.731","0.005","91.051","0.005","1383.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 F3 N4 O2 Pt -","- C12 H11 F3 N4 O2 Pt -","- C48 H44 F12 N16 O8 Pt4 -","4","2","","Konnick, Michael M.; Bischof, Steven M.; Yousufuddin, Muhammed; Hashiguchi, Brian G.; Ess, Daniel H.; Periana, Roy A.","A Mechanistic Change Results in 100 Times Faster CH Functionalization for Ethane versus Methane by a Homogeneous Pt Catalyst.","Journal of the American Chemical Society","2014","136","28","10085","10094","10.1021/ja504368r","","","0.71073","MoKα","","0.0734","0.0587","","","0.1494","0.162","","","","","","1.048","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122146","8.7062","0.0004","11.6534","0.0005","18.7313","0.0009","90","","98.535","0.0014","90","","1879.37","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(tpy)Au(CH2CH2OCOCF3)(OCOCF3)","[2-(4-tolyl)pyridine](2-trifluoroacetoxyethyl)(trifluoroacetato)gold(III)","","- C18 H14 Au F6 N O4 -","- C18 H14 Au F6 N O4 -","- C72 H56 Au4 F24 N4 O16 -","4","1","","Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats","A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.","Journal of the American Chemical Society","2014","136","28","10104","10115","10.1021/ja504554u","","","0.71073","MoKα","","0.0324","0.0214","","","0.0358","0.0384","","","","","","1.041","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122147","26.5569","0.0012","4.8312","0.0002","30.7819","0.0013","90","","105.409","0.001","90","","3807.4","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(tpy)Au(CH2CH2OCH2CF3)(OCOCF3)","[2-(4-tolyl)pyridine](2-trifluoroethoxyethyl)(trifluoroacetato)gold(III)","","- C18 H16 Au Cl0 F6 N O3 -","- C18 H16 Au F6 N O3 -","- C144 H128 Au8 F48 N8 O24 -","8","1","","Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats","A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.","Journal of the American Chemical Society","2014","136","28","10104","10115","10.1021/ja504554u","","","0.71073","MoKα","","0.0409","0.0335","","","0.0801","0.0841","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122148","11.2419","0.0012","11.434","0.0012","20.378","0.002","88.275","0.001","89.862","0.002","76.552","0.002","2546.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H83 Li O6 P -","- C51 H83 Li O6 P -","- C102 H166 Li2 O12 P2 -","2","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0543","0.0478","","","0.111","0.1328","","","","","","1.199","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122149","33.185","0.003","10.8157","0.0009","14.5739","0.0012","90","","90","","90","","5230.8","0.8","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H85 K O4 P -","- C54.996 H85 K O4 P -","- C219.984 H340 K4 O16 P4 -","4","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0506","0.0441","","","0.1039","0.1269","","","","","","1.154","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122150","11.4124","0.0003","12.0079","0.0004","14.6814","0.0004","90","","107.679","0.0016","90","","1916.91","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13288b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.034","0.0294","","","0.0737","0.0767","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122151","15.2876","0.0006","10.0354","0.0004","13.8347","0.0005","90","","114.866","0.002","90","","1925.71","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13280a","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.0408","0.0326","","","0.0796","0.0837","","","","","","1.055","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122152","8.6141","0.001","20.396","0.002","12.2349","0.0014","90","","106.345","0.002","90","","2062.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13158z","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","0.71073","MoKα","","0.0693","0.042","","","0.0881","0.1009","","","","","","1.029","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122153","12.593","0.002","11.569","0.003","13.603","0.003","90","","116.52","0.01","90","","1773.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13322a","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.0371","0.0332","","","0.0859","0.0889","","","","","","1.038","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122154","30.401","0.002","34.672","0.002","21.1517","0.0014","90","","90","","90","","22295","2","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C98 H72 F12 Fe2 N26 O12 S4 -","- C97 H72 F9 Fe2 N26 O9 S3 -","- C776 H576 F72 Fe16 N208 O72 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1337","0.1185","","","0.3238","0.3397","","","","","","1.051","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122155","12.0651","0.0004","20.7223","0.0006","45.3163","0.0014","90","","96.757","0.002","90","","11251.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H84 F12 Fe2 N20 O15 S4 -","- C104 H84 F12 Fe2 N20 O15 S4 -","- C416 H336 F48 Fe8 N80 O60 S16 -","4","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1684","0.107","","","0.2999","0.3242","","","","","","0.961","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122156","47.203","0.003","12.9869","0.0009","39.414","0.003","90","","92.37","0.004","90","","24141","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H96 F12 Fe2 N20 O15 S4 -","- C109 H96 F9 Fe2 N20 O12 S3 -","- C872 H768 F72 Fe16 N160 O96 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.71075","MoKα","","0.1276","0.0981","","","0.2715","0.288","","","","","","1.099","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122157","12.7077","0.0003","21.2365","0.0005","43.5084","0.001","90","","96.094","0.001","90","","11675.1","0.5","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C115 H90 F21 Fe2 N24 O6 P3 S -","- C115 H84 F21 Fe2 N24 O6 P3 S -","- C460 H336 F84 Fe8 N96 O24 P12 S4 -","4","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","1.54178","CuKα","","0.1403","0.1054","","","0.2833","0.3081","","","","","","1.016","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122158","11.81","0.0003","12.4184","0.0003","14.541","0.0003","79.3859","0.0019","67.8701","0.0019","69.185","0.002","1843.44","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Cl2 Cu N5 O11 -","- C29 H39 Cl2 Cu N5 O11 -","- C58 H78 Cl4 Cu2 N10 O22 -","2","1","","Lee, Jung Yoon; Peterson, Ryan L.; Ohkubo, Kei; Garcia-Bosch, Isaac; Himes, Richard A.; Woertink, Julia; Moore, Cathy D.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Mechanistic Insights into the Oxidation of Substituted Phenols via Hydrogen Atom Abstraction by a Cupric-Superoxo Complex.","Journal of the American Chemical Society","2014","136","28","9925","9937","10.1021/ja503105b","","","0.71073","MoKα","","0.0362","0.0309","","","0.0808","0.0833","","","","","","1.041","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122159","7.907","0.003","12.982","0.006","13.323","0.005","90","","90","","90","","1367.6","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P -","- C16 H19 P -","- C64 H76 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0488","0.0391","","","0.0843","0.0901","","","","","","1.018","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122160","15.256","0.005","8.081","0.003","16.253","0.005","90","","117.473","0.005","90","","1777.8","1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 P -","- C20 H27 P -","- C80 H108 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0693","0.0502","","","0.1255","0.1425","","","","","","1.034","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122161","16.8064","0.0013","11.5731","0.0009","18.979","0.0015","90","","114.969","0.001","90","","3346.4","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 O2 P -","- C34 H55 O2 P -","- C136 H220 O8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0522","0.0466","","","0.1225","0.1283","","","","","","1.011","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122162","9.5495","0.0008","19.1961","0.0017","12.6085","0.0011","90","","106.027","0.002","90","","2221.5","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 N2 P -","- C24 H37 N2 P -","- C96 H148 N8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0493","0.0403","","","0.1045","0.1114","","","","","","1.019","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122163","6.2112","0.0004","20.6287","0.0014","14.9542","0.0011","90","","92.209","0.001","90","","1914.6","0.2","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H29 N2 P -","- C20 H29 N2 P -","- C80 H116 N8 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0389","0.0338","","","0.0903","0.0942","","","","","","1.022","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122164","14.117","0.002","10.1847","0.0014","14.347","0.002","90","","94.131","0.003","90","","2057.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 O2 P -","- C22 H31 O2 P -","- C88 H124 O8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0879","0.0536","","","0.1414","0.1703","","","","","","0.925","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122165","12.3099","0.0014","14.2308","0.0016","18.822","0.002","75.22","0.002","79.664","0.002","88.112","0.002","3136.1","0.6","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H51 P -","- C32 H51 P -","- C128 H204 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.1113","0.0768","","","0.2008","0.231","","","","","","1.019","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122166","6.6137","0.001","18.406","0.003","26.543","0.004","90","","90.626","0.003","90","","3230.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 N2 P -","- C32 H53 N2 P -","- C128 H212 N8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0877","0.0543","","","0.1227","0.1432","","","","","","1.027","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122167","19.964","0.004","21.624","0.004","8.0369","0.0016","90","","90","","90","","3469.5","1.2","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C31 H46 I O2 P Pd Si -","- C31 H46 I O2 P Pd Si -","- C124 H184 I4 O8 P4 Pd4 Si4 -","4","0.5","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0942","0.0504","","","0.1109","0.1315","","","","","","1.062","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122168","11.687","0.0008","16.2027","0.0011","25.0686","0.0017","90","","101.826","0.001","90","","4646.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd1b","cmpd1b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0267","0.0206","","","0.0405","0.042","","","","","","1.002","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122169","10.1527","0.0012","16.0379","0.0018","14.2362","0.0016","90","","110.774","0.002","90","","2167.3","0.4","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","cmpd1c","cmpd1c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0319","0.0277","","","0.0632","0.0655","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122170","9.7368","0.0005","20.4387","0.001","12.387","0.0006","90","","109.451","0.001","90","","2324.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd2b","cmpd2b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C92 H136 N12 Nb4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0434","0.0311","","","0.058","0.062","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122171","13.3148","0.001","17.9841","0.0013","18.9403","0.0014","90","","102.756","0.001","90","","4423.4","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cmpd_cis_3b","cmpd_cis_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0239","0.0191","","","0.0367","0.0383","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122172","16.4902","0.0011","15.3364","0.001","17.0776","0.0011","90","","90","","90","","4318.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_3b","cmpd_trans_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0211","0.0152","","","0.0297","0.0311","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122173","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","cmpd_cis_3c","cmpd_cis_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122174","11.1501","0.0007","11.8403","0.0008","14.9152","0.001","90","","90.438","0.001","90","","1969.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd_trans_3c","cmpd_trans_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0158","0.0148","","","0.0346","0.035","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122175","11.9347","0.0014","19.054","0.002","19.12","0.002","112.506","0.0017","90.9022","0.0017","102.703","0.0017","3894.3","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","cmpd_cis_4a","cmpd_cis_4a","","- C36 H64 N6 Nb2 -","- C36 H64 N6 Nb2 -","- C144 H256 N24 Nb8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0415","0.03","","","0.0573","0.0603","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122176","16.5274","0.0018","15.3353","0.0017","17.172","0.0019","90","","90","","90","","4352.3","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_4b","cmpd_trans_4b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C184 H272 N24 Nb8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0311","0.0234","","","0.0496","0.0533","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122177","12.5699","0.0005","10.2174","0.0004","15.4022","0.0007","90","","101.536","0.001","90","","1938.17","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd5","cmpd5","","- C36 H64 N6 V2 -","- C36 H64 N6 V2 -","- C72 H128 N12 V4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0437","0.0369","","","0.0784","0.082","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122178","12.9672","0.0009","9.1331","0.0006","16.5204","0.0011","90","","91.1382","0.001","90","","1956.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cmpd8","cmpd8","","- C18 H32 Cl N2 V -","- C18 H32 Cl N2 V -","- C72 H128 Cl4 N8 V4 -","4","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0295","0.0259","","","0.0551","0.057","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122179","12.3334","0.0016","18.228","0.002","16.578","0.002","90","","90.162","0.002","90","","3726.9","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cmpd9a","cmpd9a","","- C36 H64 N6 O Ta2 -","- C36 H64 N6 O Ta2 -","- C144 H256 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0463","0.0384","","","0.0804","0.0834","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122180","10.329","0.0013","17.301","0.002","25.09","0.003","95.3168","0.0019","93.183","0.002","92.545","0.002","4451.9","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","cmpd9b","cmpd9b","","- C46 H68 N6 O Ta2 -","- C46 H68 N6 O Ta2 -","- C184 H272 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0351","0.0246","","","0.0443","0.0462","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122181","15.4459","0.0012","15.9426","0.0013","18.6329","0.0015","90","","90","","90","","4588.3","0.6","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","cmpd9c","cmpd9c","","- C44 H76 N8 O Ta2 -","- C44 H76 N8 O Ta2 -","- C176 H304 N32 O4 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0175","0.0171","","","0.0411","0.0413","","","","","","1.002","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122182","11.9991","0.0005","36.8188","0.0016","15.059","0.0007","90","","93.1035","0.0007","90","","6643.2","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd10","cmpd10","","- C36 H50 N4 V -","- C36 H50 N4 V -","- C288 H400 N32 V8 -","8","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0479","0.0369","","","0.0715","0.076","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122183","22.267","0.002","11.9395","0.0011","39.627","0.004","90","","97.399","0.003","90","","10447.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H86 N3 O5 U -","- C53 H86 N3 O5 U -","- C424 H688 N24 O40 U8 -","8","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0377","0.0271","","","0.0549","0.0581","","","","","","1.094","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122184","10.3378","0.0018","16.399","0.003","19.791","0.003","75.292","0.003","88.4","0.003","77.537","0.003","3167.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H94 N5 O3 U -","- C71 H94 N5 O3 U -","- C142 H188 N10 O6 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.066","0.0422","","","0.0765","0.0832","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122185","15.352","0.0011","18.1081","0.0009","37.4604","0.0019","90","","94.56","0.008","90","","10380.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109 H151 N8 O10 U2 -","- C109 H151 N8 O10 U2 -","- C436 H604 N32 O40 U8 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0426","0.0295","","","0.0563","0.0594","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122186","17.0957","0.0003","15.6662","0.0002","19.5697","0.0003","90","","93.813","0.001","90","","5229.65","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H77 N4 O5 U -","- C56 H77 N4 O5 U -","- C224 H308 N16 O20 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0487","0.0279","","","0.0559","0.0623","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122187","10.281","0.002","16.229","0.004","17.814","0.004","87.922","0.004","89.228","0.004","81.815","0.004","2940","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H90 N4 O5 U -","- C63 H90 N4 O5 U -","- C126 H180 N8 O10 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0476","0.0366","","","0.0854","0.0907","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122188","12.3462","0.0012","12.596","0.0013","17.731","0.0017","110.565","0.002","90.487","0.002","91.474","0.002","2580.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H156 N6 O8 U2 -","- C114 H156 N6 O8 U2 -","- C114 H156 N6 O8 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0207","0.018","","","0.0428","0.0437","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122189","12.4596","0.0002","13.1189","0.0002","15.19","0.0002","105.809","0.001","100.266","0.001","91.83","0.001","2342.23","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H144 N6 O8 U2 -","- C102 H144 N6 O8 U2 -","- C102 H144 N6 O8 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0292","0.0243","","","0.0568","0.0586","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122190","14.021","0.002","15.655","0.002","23.004","0.004","77.233","0.004","84.937","0.004","67.646","0.004","4554.4","1.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H139 K2 N6 O8 U2 -","- C93 H139 K2 N6 O8 U2 -","- C186 H278 K4 N12 O16 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0366","0.0248","","","0.0519","0.056","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122191","15.288","0.002","18.239","0.003","20.518","0.002","96.245","0.01","94.885","0.009","98.665","0.011","5592.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H180 K2 N6 O14 U2 -","- C114 H180 K2 N6 O14 U2 -","- C228 H360 K4 N12 O28 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0643","0.0438","","","0.0906","0.0946","","","","","","1.513","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122192","13.189","0.002","25.23","0.004","36.9","0.006","90","","93.896","0.004","90","","12250","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H186 K N8 O14 U2 -","- C126 H186 K N8 O14 U2 -","- C504 H744 K4 N32 O56 U8 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0867","0.0478","","","0.087","0.0958","","","","","","1.195","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122193","32.153","0.003","15.4977","0.0011","25.339","0.002","90","","115.757","0.007","90","","11371.9","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F3 N3 O7 S U -","- C58 H78 F3 N3 O7 S U -","- C464 H624 F24 N24 O56 S8 U8 -","8","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0516","0.0313","","","0.0671","0.0728","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122194","19.12","0.004","25.85","0.005","26.032","0.005","67.67","0.03","89.97","0.03","86.95","0.03","11882","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H81 F6 N3 O4 Sb U -","- C60 H81 F6 N3 O4 Sb U -","- C480 H648 F48 N24 O32 Sb8 U8 -","8","4","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.1202","0.0667","","","0.1254","0.149","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122195","25.833","0.006","19.209","0.005","26.537","0.007","90","","112.109","0.005","90","","12200","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H86 F6 N3 O4 Sb U -","- C62.5 H86 F6 N3 O4 Sb U -","- C500 H688 F48 N24 O32 Sb8 U8 -","8","2","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.1816","0.0631","","","0.0919","0.1198","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122196","7.7409","0.0007","13.7132","0.0013","24.015","0.002","90","","94.217","0.002","90","","2542.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F6 N3 O11 S2 U -","- C17 H15 F6 N3 O11 S2 U -","- C68 H60 F24 N12 O44 S8 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0179","0.0154","","","0.035","0.0359","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122197","13.4843","0.0013","19.0787","0.0018","24.425","0.002","67.765","0.002","87.98","0.002","86.037","0.002","5802.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H185 K N8 O16 U2 -","- C116 H185 K N8 O16 U2 -","- C232 H370 K2 N16 O32 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0548","0.0342","","","0.0712","0.0775","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122212","10.186","0.005","11.735","0.005","13.03","0.005","79.413","0.005","72.025","0.005","75.355","0.005","1423.9","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 B N2 U -","- C32 H36 B N2 U -","- C64 H72 B2 N4 U2 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.0341","0.0319","","","0.0972","0.0983","","","","","","1.146","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122213","14.2234","0.0001","17.8038","0.0002","14.2288","0.0001","90","","90.588","0.001","90","","3602.98","0.05","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H96 B3 Li N8 O7 U2 -","- C70 H96 B3 Li N8 O7 U2 -","- C140 H192 B6 Li2 N16 O14 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","1.54184","CuKα","","0.0406","0.0388","","","0.1003","0.1021","","","","","","1.061","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122214","11.6073","0.0002","16.45","0.0003","26.2923","0.0006","103.397","0.002","101.111","0.002","99.36","0.002","4677.75","0.18","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H105 B3 N17 Na U2 -","- C103 H105 B3 N17 Na U2 -","- C206 H210 B6 N34 Na2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.075","0.0428","","","0.0816","0.0922","","","","","","1.057","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122215","11.0751","0.0002","15.0152","0.0003","24.1321","0.0005","87.395","0.002","84.766","0.002","69.187","0.002","3735.17","0.14","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H74 I N13 O2 U2 -","- C83 H74 I N13 O2 U2 -","- C166 H148 I2 N26 O4 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.0651","0.0448","","","0.0961","0.1045","","","","","","0.911","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122216","10.8914","0.0004","23.607","0.0006","24.1102","0.0007","66.568","0.0018","79.589","0.002","89.848","0.002","5577.7","0.3","100","2","100.06","","","","","","","","","10","P -1","-P 1","2","","","","- C118 H101 B Cl2 F24 N O5 P2 Pt S2 -","- C118 H101 B Cl2 F24 N O5 P2 Pt S2 -","- C236 H202 B2 Cl4 F48 N2 O10 P4 Pt2 S4 -","2","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","1.54178","CuKα","","0.0697","0.0588","","","0.149","0.1541","","","","","","1.054","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122217","26.0542","0.0007","18.7864","0.0005","23.4577","0.0007","90","","90.777","0.002","90","","11480.7","0.6","100","2","100.03","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C122 H106 B Cl2 F24 N3 O4 P2 Pt S2 -","- C122 H106 B Cl2 F24 N3 O4 P2 Pt S2 -","- C488 H424 B4 Cl8 F96 N12 O16 P8 Pt4 S8 -","4","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","0.71073","MoKα","","0.1054","0.0488","","","0.1008","0.1251","","","","","","1.018","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122218","12.7771","0.0005","13.4792","0.0006","35.306","0.0018","100.622","0.004","90.163","0.004","102.731","0.003","5823.5","0.5","100","2","100.09","","","","","","","","","7","P -1","-P 1","2","","","","- C128 H122 B2 O4 P2 Pt S2 -","- C128 H122 B2 O4 P2 Pt S2 -","- C256 H244 B4 O8 P4 Pt2 S4 -","2","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","1.54178","CuKα","","0.1241","0.096","","","0.2176","0.2273","","","","","","1.112","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122219","11.3491","0.0006","12.3027","0.0007","15.4442","0.0008","90","","109.278","0.003","90","","2035.48","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 Fe N O P2 -","- C17 H37 Fe N O P2 -","- C68 H148 Fe4 N4 O4 P8 -","4","1","","Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven","Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.","Journal of the American Chemical Society","2014","136","29","10234","10237","10.1021/ja505241x","","","0.56086","AgKα","","0.0511","0.0298","","","0.0702","0.0821","","","","","","1.158","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122220","8.1038","0.0001","23.1886","0.0004","15.6037","0.0011","90","","95.968","0.007","90","","2916.3","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H53 Fe N O P2 -","- C29 H53 Fe N O P2 -","- C116 H212 Fe4 N4 O4 P8 -","4","1","","Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven","Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.","Journal of the American Chemical Society","2014","136","29","10234","10237","10.1021/ja505241x","","","1.54178","CuKα","","0.0385","0.0366","","","0.0895","0.0906","","","","","","1.103","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122221","8.3021","0.0003","29.2371","0.0011","11.9237","0.0004","90","","107.348","0.003","90","","2762.58","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","CGCTiCl2-C0-SNS","","- C23 H38 Cl2 N2 S2 Si Ti -","- C23 H38 Cl2 N2 S2 Si Ti -","- C92 H152 Cl8 N8 S8 Si4 Ti4 -","4","1","","Liu, Shaofeng; Motta, Alessandro; Mouat, Aidan R.; Delferro, Massimiliano; Marks, Tobin J.","Very large cooperative effects in heterobimetallic titanium-chromium catalysts for ethylene polymerization/copolymerization.","Journal of the American Chemical Society","2014","136","29","10460","10469","10.1021/ja5046742","","x-ray","1.54178","CuKα","","0.0981","0.0731","","","","0.1994","","","","","","1.0286","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122222","19.601","0.011","20.274","0.011","20.336","0.01","74.425","0.016","81.702","0.017","86.891","0.019","7702","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrathiafulvalene-calix[4]pyrrole-TOACl-C70","","- C172.6 H153.2 Cl6.2 N5 S24 -","- C172.61 H153.22 Cl6.22 N5 S24 -","- C345.22 H306.44 Cl12.44 N10 S48 -","2","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1762","0.1532","","","0.3861","0.4004","","","","","","2.259","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122223","21.845","0.004","21.527","0.004","29.676","0.006","90","","106.2","0.03","90","","13401","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Benzo-TTF-C4P]THACl-C70","Benzo-tetrathiafulvalene-calix[4]pyrrole-THACl-fullerene (C70)","","- C166 H124 Cl5 N5 S16 -","- C166 H124 Cl5 N5 S16 -","- C664 H496 Cl20 N20 S64 -","4","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71074","MoKα","","0.1343","0.1064","","","0.3227","0.3477","","","","","","1.767","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122224","19.557","0.006","19.323","0.006","37.662","0.012","90","","98.973","0.006","90","","14058","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[TTF-C4P]-C60-TOACl","Tetrathiafulvalene-calix[4]pyrrole-C60-TOACl","","- C160 H152 Cl N5 S24 -","- C160 H152 Cl N5 S24 -","- C640 H608 Cl4 N20 S96 -","4","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.2271","0.193","","","0.4031","0.4166","","","","","","1.993","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122225","18.7465","0.0008","18.7465","0.0008","14.7998","0.0007","90","","90","","90","","5201.1","0.4","233","2","233","2","","","","","","","","5","P 4/n :2","-P 4a","85","Benzo-TTF-C4P TBAF C60","Benzo-tetrathiafluvalene-calix[4]pyrrole-fullerene(C60)-Tetrabutylammonium fluoride","","- C136 H80 F N5 S16 -","- C136 H80 F N5 S16 -","- C272 H160 F2 N10 S32 -","2","0.25","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1287","0.1079","","","0.3074","0.3329","","","","","","1.067","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122226","11.636","0.002","9.2863","0.0018","20.039","0.004","90","","105.279","0.004","90","","2088.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 3b","","","- C22 H26 Br N O3 -","- C22 H26 Br N O3 -","- C88 H104 Br4 N4 O12 -","4","2","","Di Iorio, Nicola; Righi, Paolo; Mazzanti, Andrea; Mancinelli, Michele; Ciogli, Alessia; Bencivenni, Giorgio","Remote Control of Axial Chirality: Aminocatalytic Desymmetrization of N-Arylmaleimides via Vinylogous Michael Addition.","Journal of the American Chemical Society","2014","136","29","10250","10253","10.1021/ja505610k","","","0.71073","MoKα","","0.0787","0.062","","","0.1527","0.1616","","","","","","0.957","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122242","15.392","0.003","25.532","0.005","17.085","0.003","90","","90","","90","","6714","2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","trans-PtCl2(CNArDipp2)2","","","- C72 H85 Cl2 F N4 Pt -","- C72 H85 Cl2 F N4 Pt -","- C288 H340 Cl8 F4 N16 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0336","0.0248","","","0.0446","0.0465","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122243","23.427","0.003","12.4081","0.0015","22.03","0.003","90","","111.479","0.005","90","","5959.1","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-PtCl2(CNArDipp2)2","","","- C64 H78 Cl6 N2 Pt -","- C64 H78 Cl6 N2 Pt -","- C256 H312 Cl24 N8 Pt4 -","4","0.5","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0539","0.0397","","","0.0791","0.0834","","","","","","1.12","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122244","16.2253","0.0008","16.4117","0.0008","21.4546","0.0009","90","","96.143","0.002","90","","5680.2","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(CNArDipp2)2","","","- C66 H82 N2 O Pt -","- C66 H82 N2 O Pt -","- C264 H328 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0408","0.0283","","","0.0612","0.0674","","","","","","1.047","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122245","14.221","0.002","21.092","0.003","22.585","0.003","90","","99.809","0.005","90","","6675.3","1.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(kappa-2-N,B-(Cy)2BIM)(CNArDipp2)","","","- C76.5 H103 B N2 Pt -","- C76.5 H103 B N2 Pt -","- C306 H412 B4 N8 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0412","0.0254","","","0.0501","0.0549","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122246","13.7552","0.0003","12.2451","0.0003","22.2006","0.0005","90","","91.249","0.0011","90","","3738.44","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(OH)(Cy)BC(H)(Cy)NHArDipp2","","","- C43 H62 B N O -","- C43 H62 B N O -","- C172 H248 B4 N4 O4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.1058","0.1153","","","","","","1.017","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122247","11.7424","0.0019","41.076","0.007","15.151","0.002","90","","110.606","0.003","90","","6840.3","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtH(mu-OH)((Cy)2BIM)(CNArDipp2)","","","- C76 H104 B N2 O1.5 Pt -","- C76 H104 B N2 O1.5 Pt -","- C304 H416 B4 N8 O6 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0359","0.028","","","0.0589","0.0614","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122248","10.8582","0.0006","41.318","0.002","15.8758","0.0009","90","","107.117","0.002","90","","6807","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(kappa-2-C,N,-(Me2CO)(Cy)2BIM)(CNArDipp2)","","","- C77 H103 B N2 O Pt -","- C77 H103 B N2 O Pt -","- C308 H412 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0582","0.0591","","","","","","1.221","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122249","17.3778","0.0006","21.3169","0.0007","19.5427","0.0007","90","","104.843","0.002","90","","6997.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(mu-N(H)(p-NO2C6H4))(Cy2BIM)(CNArDipp2)","","","- C80 H102 B N4 O2 Pt -","- C80 H102 B N4 O2 Pt -","- C320 H408 B4 N16 O8 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0439","0.0305","","","0.0664","0.0697","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122250","16.521","0.0006","20.7264","0.0006","20.3651","0.0008","90","","103.659","0.001","90","","6776.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(mu-OMe)(Cy2BIM)(CNArDipp2)","","","- C75 H101 B N2 O Pt -","- C75 H101 B N2 O Pt -","- C300 H404 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.063","0.0346","","","0.0682","0.0885","","","","","","1.066","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122251","15.1651","0.0012","18.0874","0.0013","18.8461","0.0012","90","","99.98","0.003","90","","5091.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cy2BIM][BCl3]","","","- C53 H84 B2 Cl3 N -","- C53 H84 B2 Cl3 N -","- C212 H336 B8 Cl12 N4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0989","0.0584","","","0.147","0.1707","","","","","","1.063","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122252","12.1668","0.0006","14.9438","0.0008","22.7406","0.0012","100.915","0.002","100.665","0.002","102.973","0.002","3842.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","PtH(eta-2-C,C-kappa-1-N-PhCC-(Cy)2BIM)(CNArDipp2)","","","- C88 H117 B N2 O1.5 Pt -","- C88 H117 B N2 O1.5 Pt -","- C176 H234 B2 N4 O3 Pt2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0716","0.0476","","","0.0867","0.0942","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122253","15.454","0.003","18.996","0.004","24.561","0.005","90","","105.179","0.004","90","","6959","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(eta-2-H,B-kappa-1-N-(Cy)2BIM)(CNArDipp2)","","","- C78 H108 B N2 O Pt -","- C78 H108 B N2 O Pt -","- C312 H432 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.05","0.0323","","","0.0608","0.0676","","","","","","1.02","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122254","15.7728","0.0011","25.8576","0.0017","24.212","0.0015","90","","107.415","0.001","90","","9422.1","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pt(kappa-2-C,N,-(PhCHO)(Cy)2BIM)(CNArDipp2)'","","","- C108 H157 B N2 O Pt -","- C108 H157 B N2 O Pt -","- C432 H628 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0324","0.0253","","","0.0582","0.0611","","","","","","1.031","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122255","14.1554","0.0014","14.1554","0.0014","9.807","0.001","90","","90","","120","","1701.8","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H23 Fe N9 O4 -","- C20 H23 Fe N9 O4 -","- C60 H69 Fe3 N27 O12 -","3","0.5","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0494","0.0428","","","0.1079","0.1126","","","","","","1.056","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122256","10.9135","0.0006","21.3956","0.0012","11.3491","0.0007","90","","98.669","0.001","90","","2619.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 B2 F8 Fe N9 -","- C19 H27 B2 F8 Fe N9 -","- C76 H108 B8 F32 Fe4 N36 -","4","1","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0374","0.0331","","","0.09","0.0939","","","","","","1.034","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122257","9.9038","0.0004","10.2229","0.0004","19.6958","0.0009","83.143","0.002","86.242","0.002","65.473","0.002","1800.92","0.13","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H40 Au O4 P Si -","- C40 H40 Au O4 P Si -","- C80 H80 Au2 O8 P2 Si2 -","2","1","","Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.","Journal of the American Chemical Society","2014","136","29","10373","10382","10.1021/ja504024h","","x-ray","0.71073","MoKα","","0.0165","0.0148","","","0.0359","0.0366","","","","","","1.076","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122258","10.8649","0.0004","23.9209","0.0008","14.8877","0.0006","90","","100.449","0.002","90","","3805.1","0.2","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Au O4 P Si -","- C43 H43 Au O4 P Si -","- C172 H172 Au4 O16 P4 Si4 -","4","1","","Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.","Journal of the American Chemical Society","2014","136","29","10373","10382","10.1021/ja504024h","","x-ray","0.71073","MoKα","","0.0374","0.0236","","","0.0474","0.0521","","","","","","1.024","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122259","11.053","0.002","18.656","0.004","22.247","0.004","90","","96.86","0.03","90","","4554.6","1.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sc3C2@C80(C7H7)l1.5CS2","","","- C90.5 H7 S3 Sc3 -","- C90.5 H7 S3 Sc3 -","- C362 H28 S12 Sc12 -","4","1","","Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing","Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative.","Journal of the American Chemical Society","2014","136","29","10534","10540","10.1021/ja505858y","","","0.71073","MoKα","","0.0936","0.0866","","","0.2424","0.2535","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122260","26.788","0.003","16.9531","0.0019","17.6337","0.0017","90","","106.517","0.006","90","","7677.7","1.4","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc3C2@Ih(7)-C80/Ni(OEP)/1.5(benzene)/1.0(CS2)","","","- C128 H53 N4 Ni S2 Sc3 -","- C128 H53 N4 Ni S2 Sc3 -","- C512 H212 N16 Ni4 S8 Sc12 -","4","0.5","","Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing","Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative.","Journal of the American Chemical Society","2014","136","29","10534","10540","10.1021/ja505858y","","","0.71073","MoKα","","0.1133","0.0813","","","0.2206","0.2501","","","","","","1.06","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122261","11.9905","0.0019","15.728","0.002","16.06","0.003","90","","90","","90","","3028.7","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","1.54178","CuKα","","0.039","0.0374","","","0.0993","0.101","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122262","17.1067","0.0005","7.6909","0.0002","13.1373","0.0003","90","","96.004","0.002","90","","1718.94","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","0.71073","MoKα","","0.0929","0.0473","","","0.0998","0.1197","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122263","7.5638","0.0002","13.0804","0.0003","19.4333","0.0004","90","","90","","90","","1922.68","0.08","99.96","","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O3 -","- C21 H22 Br N O3 -","- C84 H88 Br4 N4 O12 -","4","1","","Lee, Anna; Younai, Ashkaan; Price, Christopher K.; Izquierdo, Javier; Mishra, Rama K.; Scheidt, Karl A.","Enantioselective annulations for dihydroquinolones by in situ generation of azolium enolates.","Journal of the American Chemical Society","2014","136","30","10589","10592","10.1021/ja505880r","","","1.54178","CuKα","","0.0217","0.0197","","","0.046","0.0469","","","","","","1.034","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122264","13.941","0.004","14.762","0.004","30.916","0.009","90","","90","","90","","6362","3","93","","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Cl Ge N2 O4 -","- C37 H37 Cl Ge N2 O4 -","- C296 H296 Cl8 Ge8 N16 O32 -","8","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.0777","0.0754","","","0.1218","0.1229","","","","","","1.328","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122265","10.429","0.008","11.009","0.008","14.729","0.009","76.4","0.03","69.4","0.03","79.46","0.03","1529.2","1.9","93","","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O4 -","- C37 H40 N2 O4 -","- C74 H80 N4 O8 -","2","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.1462","0.1036","","","0.1859","0.2084","","","","","","1.169","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122266","13.4902","0.0009","7.8876","0.0005","20.8018","0.0014","90","","96.089","0.001","90","","2200.9","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 S -","- C26 H20 N2 O3 S -","- C104 H80 N8 O12 S4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0818","0.0562","","","0.1502","0.187","","","","","","1.089","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122267","7.2476","0.0006","8.2748","0.0007","14.1627","0.0012","90","","96.587","0.002","90","","843.76","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 I N O -","- C9 H6 I N O -","- C36 H24 I4 N4 O4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0279","0.0206","","","0.0427","0.082","","","","","","1.361","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122268","6.9399","0.0005","7.6809","0.0005","16.4129","0.0011","85.534","0.002","82.698","0.001","73.532","0.001","831.39","0.1","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C40 H32 N4 O6 S2 -","2","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.097","0.0607","","","0.1591","0.2406","","","","","","1.115","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122269","8.2672","0.0012","14.5253","0.0019","14.507","0.002","90","","92.942","0.005","90","","1739.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl Ir N O -","- C19 H21 Cl Ir N O -","- C76 H84 Cl4 Ir4 N4 O4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0962","0.0454","","","0.067","0.0879","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122270","9.627","0.0007","12.8045","0.0009","16.2628","0.0012","90","","90","","90","","2004.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 B O3 P -","- C25 H20 B O3 P -","- C100 H80 B4 O12 P4 -","4","1","","Courtemanche, Marc-André; Légaré, Marc-André; Maron, Laurent; Fontaine, Frédéric-Georges","Reducing CO2 to Methanol Using Frustrated Lewis Pairs: On the Mechanism of Phosphine-Borane-Mediated Hydroboration of CO2.","Journal of the American Chemical Society","2014","136","30","10708","10717","10.1021/ja5047846","","","0.71073","MoKα","","0.0363","0.0333","","","0.0831","0.0855","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122271","12.6769","0.0007","14.3202","0.0007","11.4924","0.0006","90","","105.27","0.003","90","","2012.63","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Hong, Kai; Liu, Xun; Morken, James P.","Simple Access to Elusive α-Boryl Carbanions and Their Alkylation: An Umpolung Construction for Organic Synthesis.","Journal of the American Chemical Society","2014","136","30","10581","10584","10.1021/ja505455z","","","0.71073","MoKα","","0.0457","0.0377","","","0.0922","0.0977","","","","","","1.027","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122272","7.5037","0.0016","7.547","0.0016","27.474","0.006","90","","90","","90","","1555.9","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 S2 -","- C19 H16 S2 -","- C76 H64 S8 -","4","1","","Bailey, T. Spencer; Zakharov, Lev N.; Pluth, Michael D.","Understanding hydrogen sulfide storage: probing conditions for sulfide release from hydrodisulfides.","Journal of the American Chemical Society","2014","136","30","10573","10576","10.1021/ja505371z","","","0.71073","MoKα","","0.0521","0.0446","","","0.1138","0.1179","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122273","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C330 H480 Cd35 N30 O60 Se20 -","- Cd35 Se20 -","- Cd140 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2288","0.1822","","","0.4715","0.4977","","","","","","1.535","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122274","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C242 H352 Cd31 N22 O44 Se20 -","- Cd31 Se20 -","- Cd124 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2458","0.1969","","","0.4961","0.5222","","","","","","1.639","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122275","17.0374","0.0012","9.1839","0.0006","26.2103","0.0018","90","","95.077","0.001","90","","4085","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 Cd3 N O12 -","- C44 H33 Cd3 N O12 -","- C176 H132 Cd12 N4 O48 -","4","1","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.0421","0.0292","","","0.0562","0.0606","","","","","","1.048","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122276","17.349","0.004","19.217","0.004","19.415","0.004","87.59","0.03","76.89","0.03","72.4","0.03","6007","3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H107 Au10 F12 N3 O P10 S4 -","- C114 H107 Au10 F12 N3 O P10 S4 -","- C228 H214 Au20 F24 N6 O2 P20 S8 -","2","1","","Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah","Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.","Journal of the American Chemical Society","2014","136","30","10801","10806","10.1021/ja505599v","","","0.7499","","","0.0936","0.0926","","","0.2466","0.2484","","","","","","1.107","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122277","16.3705","0.0019","17.829","0.002","19.46","0.002","100.583","0.002","101.699","0.002","112.083","0.002","4937.9","1","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H136 Au12 Cl4 P12 S6 -","- C156 H136 Au12 Cl4 P12 S6 -","- C156 H136 Au12 Cl4 P12 S6 -","1","0.5","","Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah","Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.","Journal of the American Chemical Society","2014","136","30","10801","10806","10.1021/ja505599v","","","0.71073","MoKα","","0.0833","0.0469","","","0.1166","0.1276","","","","","","0.916","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122278","9.262","0.0003","22.4163","0.0009","21.2155","0.0008","90","","95.996","0.002","90","","4380.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 Cl N O3 Si2 Ti -","- C43 H64 Cl N O3 Si2 Ti -","- C172 H256 Cl4 N4 O12 Si8 Ti4 -","4","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.0756","0.0535","","","0.1353","0.1472","","","","","","1.065","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122279","12.1256","0.0009","12.3667","0.001","14.8256","0.0011","92.283","0.004","94.294","0.004","106.191","0.004","2124.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Cl N O2 Ti -","- C46 H66 Cl N O2 Ti -","- C92 H132 Cl2 N2 O4 Ti2 -","2","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.09","0.0521","","","0.1329","0.1548","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122280","9.6385","0.0005","11.1526","0.0006","20.9436","0.0012","97.266","0.003","97.906","0.003","100.804","0.003","2163.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H69 N O2 Si2 Ti -","- C45 H69 N O2 Si2 Ti -","- C90 H138 N2 O4 Si4 Ti2 -","2","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.0744","0.0469","","","0.1145","0.128","","","","","","1.023","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122281","9.5811","0.0012","20.012","0.003","19.283","0.002","90","","101.171","0.004","90","","3627.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 N O2 Ti -","- C42 H57 N O2 Ti -","- C168 H228 N4 O8 Ti4 -","4","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.1128","0.0529","","","0.1008","0.1195","","","","","","1.016","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122282","11.6724","0.0011","24.209","0.002","22.364","0.002","90","","103.811","0.003","90","","6136.8","0.9","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C137 H77 Cl16 N16 O8 -","- C137 H77 Cl16 N16 O8 -","- C274 H154 Cl32 N32 O16 -","2","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0871","0.0626","","","0.1601","0.1787","","","","","","1.005","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122283","11.5344","0.0007","26.0993","0.0015","23.8255","0.0015","90","","90","","90","","7172.4","0.8","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C141 H84 Cl16 N16 O8 -","- C141 H84 Cl16 N16 O8 -","- C282 H168 Cl32 N32 O16 -","2","0.5","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.1162","0.1147","","","0.2904","0.2913","","","","","","1.083","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122284","11.7278","0.0005","18.4783","0.0008","23.7323","0.0011","90","","90","","90","","5143","0.4","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C272 H176 N32 O16 -","8","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0443","0.0334","","","0.0824","0.0906","","","","","","1.039","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122286","18.0353","0.0006","28.636","0.001","21.3624","0.0007","90","","90","","90","","11032.8","0.6","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C86 H70 F36 N8 P6 -","- C78 H65 F36 N8 P6 -","- C312 H260 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1415","0.1076","","","0.3413","0.3671","","","","","","1.435","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122287","18.1424","0.0006","28.4624","0.0009","21.3281","0.0006","90","","90","","90","","11013.3","0.6","100","2","99.99","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H96 F36 N16 P6 -","- C104 H95.5 F36 N16 P6 -","- C416 H382 F144 N64 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0465","0.0456","","","0.1232","0.1251","","","","","","1.075","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122288","18.0778","0.0018","28.704","0.002","21.242","0.002","90","","90","","90","","11022.6","1.7","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C90 H72 F36 N8 P6 -","- C90 H71.5 F36 N8 P6 -","- C360 H286 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1233","0.0819","","","0.2204","0.2455","","","","","","1","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122289","18.0422","0.0007","28.4947","0.0014","21.5301","0.0007","90","","90","","90","","11068.8","0.8","100.15","","100.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C70 H60 F36 N8 P6 -","- C70 H60 F36 N8 P6 -","- C280 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","0.71073","MoKα","","0.115","0.0954","","","0.3324","0.3527","","","","","","1.406","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122290","18.2677","0.0008","30.7383","0.0012","21.5011","0.0009","90","","111.192","0.002","90","","11256.8","0.8","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H115 F36 N13 P6 -","- C84 H66 F36 N6 P6 -","- C336 H264 F144 N24 P24 -","4","1","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1048","0.0933","","","0.2456","0.2529","","","","","","1.024","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122291","23.1338","0.0018","30.56","0.002","18.2064","0.0011","90","","120.757","0.005","90","","11060.9","1.4","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C90 H66 F36 N6 P6 -","- C90 H66 F36 N6 P6 -","- C360 H264 F144 N24 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1557","0.1118","","","0.2989","0.3381","","","","","","1.258","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122292","18.1032","0.0012","28.586","0.002","21.3729","0.0013","90","","90","","90","","11060.4","1.3","100","2","100","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C86 H73 F36 N9 P6 -","- C86 H73 F36 N9 P6 -","- C344 H292 F144 N36 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1569","0.1084","","","0.3388","0.3714","","","","","","1.338","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122293","18.0851","0.0005","28.5005","0.0008","21.5707","0.0006","90","","90","","90","","11118.3","0.5","100","2","99.99","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C77 H67 F36 N9 P6 -","- C77 H67 F36 N9 P6 -","- C308 H268 F144 N36 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0924","0.0696","","","0.2293","0.241","","","","","","1.055","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122294","30.6242","0.0005","30.6242","0.0005","20.9672","0.0005","90","","90","","120","","17029.4","0.6","100","2","99.99","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H102 F36 N18 P6 -","- C108 H102 F36 N18 P6 -","- C648 H612 F216 N108 P36 -","6","0.333333","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0518","0.0435","","","0.1253","0.1313","","","","","","1.062","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122295","18.1567","0.0008","28.6627","0.0013","21.1615","0.001","90","","90","","90","","11012.9","0.9","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C79 H66 F36 N8 P6 -","- C79 H60 F36 N8 P6 -","- C316 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1153","0.0958","","","0.3104","0.3321","","","","","","1.443","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122296","16.4947","0.0007","16.7464","0.0007","22.8838","0.001","86.675","0.002","78.45","0.002","71.512","0.002","5873.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45.5 F24 N8.5 Sb4 -","- C45 H45.5 F24 N8.5 Sb4 -","- C180 H182 F96 N34 Sb16 -","4","2","","Barnes, Jonathan C.; Frasconi, Marco; Young, Ryan M.; Khdary, Nezar H.; Liu, Wei-Guang; Dyar, Scott M.; McGonigal, Paul R.; Gibbs-Hall, Ian C; Diercks, Christian S.; Sarjeant, Amy A.; Stern, Charlotte L.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Solid-state characterization and photoinduced intramolecular electron transfer in a nanoconfined octacationic homo[2]catenane.","Journal of the American Chemical Society","2014","136","30","10569","10572","10.1021/ja505093d","","","1.54178","CuKα","","0.1005","0.0886","","","0.2435","0.2552","","","","","","1.079","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4122297","19.4173","0.0017","17.2079","0.0015","13.992","0.0013","90","","90","","90","","4675.2","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H42 F6 N2 O4 W -","- C58 H42 F6 N2 O4 W -","- C232 H168 F24 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0165","0.0148","","","0.0357","0.0363","","","","","","1.029","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122298","19.005","0.003","24.244","0.003","9.1234","0.0012","90","","96.525","0.003","90","","4176.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 F11 N2 O4 W -","- C50 H29 F11 N2 O4 W -","- C200 H116 F44 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0379","0.0336","","","0.0716","0.073","","","","","","1.113","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122299","21.0206","0.0005","16.0491","0.0004","14.6836","0.0004","90","","120.792","0.001","90","","4255.37","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 F6 N2 O6 W -","- C53 H40 F6 N2 O6 W -","- C212 H160 F24 N8 O24 W4 -","4","0.5","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0382","","","","","","1.085","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122300","21.4476","0.0007","15.8488","0.0005","14.2263","0.0005","90","","120.924","0.001","90","","4148.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 F6 N2 O4 W -","- C53 H40 F6 N2 O4 W -","- C212 H160 F24 N8 O16 W4 -","4","0.5","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0171","0.0165","","","0.0425","0.0428","","","","","","1.13","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122301","10.023","0.014","10.902","0.017","11.848","0.017","108.72","0.03","92.751","0.003","109.02","0.03","1142","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 B O2 -","- C27 H33 B O2 -","- C54 H66 B2 O4 -","2","1","","Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya","Phosphine-catalyzed anti-carboboration of alkynoates with alkyl-, alkenyl-, and arylboranes.","Journal of the American Chemical Society","2014","136","30","10605","10608","10.1021/ja506310v","","","0.71075","MoKα","","","0.0831","","","","0.2592","","","","","","0.99","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122302","10.8175","0.0019","13.761","0.002","21.924","0.004","83.546","0.005","76.684","0.005","68.516","0.005","2953.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H26 Cl N O Ta -","- C17 H26 Cl N4 O Ta -","- C102 H156 Cl6 N24 O6 Ta6 -","6","3","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","x-ray","0.71073","MoKα","","0.035","0.0274","","","0.0573","0.0599","","","","","","1.074","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122303","12.3246","0.0015","13.0655","0.0015","17.41","0.003","68.087","0.005","75.004","0.008","64.226","0.005","2326.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H71 N10 O2 Ta2 -","- C41 H71 N10 O2 Ta2 -","- C82 H142 N20 O4 Ta4 -","2","1","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","","0.71073","MoKα","","0.0617","0.0468","","","0.117","0.1235","","","","","","1.257","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122304","7.442","0.003","11.75","0.004","12.367","0.004","74.751","0.007","81.066","0.008","84.295","0.007","1028.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","x-ray","0.71073","MoKα","","0.046","0.0415","","","0.1125","0.1169","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122305","17.5861","0.0004","19.0753","0.0004","19.3177","0.0008","90","","92.707","0.003","90","","6473.1","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H20 B F24 Li -","- C98 H20 B F24 Li -","- C392 H80 B4 F96 Li4 -","4","1","","Ueno, Hiroshi; Kawakami, Hiroki; Nakagawa, Koji; Okada, Hiroshi; Ikuma, Naohiko; Aoyagi, Shinobu; Kokubo, Ken; Matsuo, Yutaka; Oshima, Takumi","Kinetic study of the diels-alder reaction of li(+)@c60 with cyclohexadiene: greatly increased reaction rate by encapsulated li(+).","Journal of the American Chemical Society","2014","136","31","11162","11167","10.1021/ja505952y","","","0.64898","synchrotron","","0.0581","0.0515","","","0.1356","0.1447","","","","","","0.817","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122306","14.723","0.0015","12.8193","0.0013","17.7642","0.0019","90","","93.866","0.001","90","","3345.2","0.6","106","2","106","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl3 P2 Pt Sb -","- C36 H28 Cl3 P2 Pt Sb -","- C144 H112 Cl12 P8 Pt4 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Solution and Solid-State Photoreductive Elimination of Chlorine by Irradiation of a [PtSb](VII) Complex.","Journal of the American Chemical Society","2014","136","31","10866","10869","10.1021/ja5056164","","","0.71073","MoKα","","0.0543","0.0357","","","0.078","0.0929","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122307","16.7945","0.0011","11.9268","0.0008","18.1227","0.0012","90","","103.958","0.001","90","","3522.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl5 P2 Pt Sb -","- C36 H28 Cl5 P2 Pt Sb -","- C144 H112 Cl20 P8 Pt4 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Solution and Solid-State Photoreductive Elimination of Chlorine by Irradiation of a [PtSb](VII) Complex.","Journal of the American Chemical Society","2014","136","31","10866","10869","10.1021/ja5056164","","","0.71073","MoKα","","0.0193","0.0181","","","0.0457","0.0462","","","","","","1.046","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122308","16.015","0.002","14.1139","0.0018","10.6266","0.0014","90","","127.29","0.006","90","","1911","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C72 H88 N8 O40 -","4","0.5","","Rubinstein, Amir; Jiménez-Lozanao, Pablo; Carbó, Jorge J; Poblet, Josep M.; Neumann, Ronny","Aerobic carbon-carbon bond cleavage of alkenes to aldehydes catalyzed by first-row transition-metal-substituted polyoxometalates in the presence of nitrogen dioxide.","Journal of the American Chemical Society","2014","136","31","10941","10948","10.1021/ja502846h","","","0.71073","MoKα","","0.058","0.0361","","","0.0869","0.0982","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122309","20.611","0.007","7.029","0.002","13.62","0.005","90","","90","","90","","1973.2","1.1","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0437","0.0281","","","0.0571","0.0624","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122310","20.4733","0.0007","7.0919","0.0003","13.3346","0.0004","90","","90","","90","","1936.11","0.12","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.05","0.0381","","","0.0975","0.1052","","","","","","1.106","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122311","21.823","0.018","14.573","0.012","7.503","0.006","90","","107.95","0.009","90","","2270","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Ag N4 O3 -","- C6 H6 Ag N4 O3 -","- C48 H48 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.1111","0.0999","","","0.2665","0.2726","","","","","","1.122","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122312","7.8576","0.001","24.637","0.003","13.7898","0.0017","90","","90","","90","","2669.5","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H7 Ag N4 O3 -","- C8 H7 Ag N4 O3 -","- C64 H56 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.2075","0.1771","","","0.3726","0.3846","","","","","","1.202","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122313","25.973","0.006","6.7789","0.0015","27.596","0.006","90","","107.919","0.003","90","","4623.1","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu2 N6 O8 S -","- C12 H12 Cu2 N6 O8 S -","- C96 H96 Cu16 N48 O64 S8 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0765","0.0474","","","0.1174","0.1267","","","","","","0.995","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122314","27.772","0.005","31.111","0.006","6.5431","0.0012","90","","90","","90","","5653.3","1.8","140","2","140","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H25 B N2 -","- C15 H25 B N2 -","- C240 H400 B16 N32 -","16","1","","Chu, Jiaxiang; Han, Xianghao; Kefalidis, Christos E.; Zhou, Jiliang; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Lewis Acid triggered reactivity of a lewis base stabilized scandium-terminal imido complex: C-h bond activation, cycloaddition, and dehydrofluorination.","Journal of the American Chemical Society","2014","136","31","10894","10897","10.1021/ja5061559","","","0.71073","MoKα","","0.0749","0.0456","","","0.0987","0.1211","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122315","21.163","0.0005","8.5919","0.0002","10.0756","0.0003","90","","90","","90","","1832.05","0.08","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H41 Fe N3 O2 -","- C41 H41 Fe N3 O2 -","- C82 H82 Fe2 N6 O4 -","2","0.5","","Chiang, Chien-Wei; Kleespies, Scott T.; Stout, Heather D.; Meier, Katlyn K.; Li, Po-Yi; Bominaar, Emile L.; Que, Jr, Lawrence; Münck, Eckard; Lee, Way-Zen","Characterization of a paramagnetic mononuclear nonheme iron-superoxo complex.","Journal of the American Chemical Society","2014","136","31","10846","10849","10.1021/ja504410s","","","0.71073","MoKα","","0.046","0.0444","","","0.1418","0.1434","","","","","","0.991","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122316","6.843","0.001","7.27","0.001","17.736","0.003","90","","98.87","0.01","90","","871.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3S,5R)-3-(4-Methoxyphenyl)-1-oxospiro[4.5]decan-7- ylidene]malononitrile","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0468","0.0376","","","0.0932","0.0988","","","","","","1.035","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122317","8.4215","0.0009","6.9754","0.0008","13.365","0.002","90","","96.979","0.002","90","","779.29","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(1S,4S,5R,6S)-5-Formyl-4-methyl-6-phenylbicyclo[2.2.2] octan-2-ylidene]malononitrile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0336","0.0328","","","0.0878","0.0885","","","","","","1.045","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122318","42.95","0.03","3.967","0.002","13.369","0.008","90","","98.813","0.011","90","","2251","2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Sb8 Se24 Sn5 Tl4 -","- Sb2.66667 Se8 Sn1.66667 Tl1.33333 -","- Sb16 Se48 Sn10 Tl8 -","6","0.75","","Fang, Lei; Iyer, Ratnasabapathy G.; Tan, Gangjian; West, Damien J.; Zhang, Shengbai; Kanatzidis, Mercouri G.","The New Phase [Tl4Sb6Se10][Sn5Sb2Se14]: A Naturally Formed Semiconducting Heterostructure with Two-Dimensional Conductance.","Journal of the American Chemical Society","2014","136","31","11079","11084","10.1021/ja505301y","","","0.71073","MoKα","","0.1179","0.0572","","","0.129","0.1551","","","","","","0.954","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122320","12.601","0.003","16.923","0.003","20.807","0.004","90","","90","","90","","4437","1.6","12","2","12","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","diaryltellurium acetimidate","","","- C26 H27 N3 O Te -","- C26 H27 N3 O Te -","- C208 H216 N24 O8 Te8 -","8","1","","Mallow, Ole; Bolsinger, Jens; Finke, Pamela; Hesse, Malte; Chen, Yu-Sheng; Duthie, Andrew; Grabowsky, Simon; Luger, Peter; Mebs, Stefan; Beckmann, Jens","Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate.","Journal of the American Chemical Society","2014","136","31","10870","10873","10.1021/ja505648x","","","0.4133","synchrotron","","0.066","0.034","","","0.072","0.072","0.052","","","","","1.092","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122321","11.307","0.005","11.66","0.007","23.091","0.01","91.282","0.008","100.757","0.006","118.983","0.005","2594","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cl2NN]Cu-NHArCl3","","","- C23 H16 Cl7 Cu N3 -","- C23 H16 Cl7 Cu N3 -","- C92 H64 Cl28 Cu4 N12 -","4","2","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0588","0.0472","","","0.1201","0.1248","","","","","","1.064","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122322","15.608","0.01","8.241","0.005","17.842","0.011","90","","92.945","0.008","90","","2292","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cl2NN]Cu-NH-2-pyr","","","- C22 H18 Cl4 Cu N4 -","- C22 H18 Cl4 Cu N4 -","- C88 H72 Cl16 Cu4 N16 -","4","1","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0345","0.0296","","","0.0727","0.0772","","","","","","0.996","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122323","12.826","0.006","11.594","0.005","17.588","0.008","90","","94.677","0.006","90","","2607","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cl2NN]Cu-NHArF6","","","- C25 H17 Cl4 Cu F6 N3 -","- C25 H17 Cl4 Cu F6 N3 -","- C100 H68 Cl16 Cu4 F24 N12 -","4","1","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0372","0.03","","","0.0741","0.0766","","","","","","1.074","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122324","21.957","0.004","27.821","0.006","28.369","0.006","75.91","0.03","72.76","0.03","76.36","0.03","15801","6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C277 H295 Au16 Cl2 N18 O16 S48 -","- C277 H295 Au16 Cl2 N18 O16 S48 -","- C554 H590 Au32 Cl4 N36 O32 S96 -","2","1","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7499","","","0.1395","0.1103","","","0.299","0.3201","","","","","","1.259","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122325","26.51","0.002","39.79","0.001","39.011","0.003","90","","105.588","0.003","90","","39637","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H176 Au8 N8 O8 S16 -","- C160 H176 Au8 N8 O8 S16 -","- C1280 H1408 Au64 N64 O64 S128 -","8","2","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.9001","","","0.0673","0.0645","","","0.1623","0.1671","","","","","","1.221","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122326","36.036","0.001","21.732","0.001","41.308","0.003","90","","90","","90","","32350","3","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C304 H320 Au16 N16 O16 S32 -","- C304 H320 Au16 N16 O16 S32 -","- C1216 H1280 Au64 N64 O64 S128 -","4","","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7501","","","0.0459","0.0427","","","0.0958","0.0966","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122327","12.281","0.003","13.661","0.003","14.407","0.003","90","","92.245","0.004","90","","2415.2","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","1","","Ohmatsu, Kohsuke; Kiyokawa, Mari; Ooi, Takashi","Correction to ""chiral 1,2,3-triazoliums as new cationic organic catalysts with anion-recognition ability: application to asymmetric alkylation of oxindoles"".","Journal of the American Chemical Society","2014","136","31","11195","","10.1021/ja506545z","","","0.71073","MoKα","","0.0409","0.0387","","","0.0993","0.1016","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122328","15.9473","0.0002","14.8095","0.0002","21.5138","0.0003","90","","93.8759","0.0013","90","","5069.33","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ga{B(L)}2(OH)","","- C52 H73 B2 Ga N4 O -","- C52 H73 B2 Ga N4 O -","- C208 H292 B8 Ga4 N16 O4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0441","0.0406","","0.0513","0.0494","0.049","","","","","","1.0967","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122329","15.11301","0.00014","18.55311","0.00017","19.57819","0.00018","90","","90","","90","","5489.59","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 B2 N4 Sn -","- C58 H82 B2 N4 Sn -","- C232 H328 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.54184","CuKα","","0.0211","0.0203","","0.0223","0.0217","0.0216","","","","","","1.1022","","","","has coordinates","265225","2021-05-14","14:20:09",""
"4122330","31.1097","0.0002","12.833","0.00013","21.5279","0.00009","90","","90","","90","","8594.6","0.11","150","0.4","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","[{Tl{B(NArCH)2}}2{C6H10}{B(NArCH)2}].0.5(C5H12)","","- C85.25 H121 B3 N6 Tl -","- C85.25 H121 B3 N6 Tl -","- C341 H484 B12 N24 Tl4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0262","0.0242","","0.0292","0.026","0.0253","","","","","","1.1254","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122331","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71.5 B2 Cl2 N4 Sn -","- C52 H71.5 B2 Cl2 N4 Sn -","- C208 H286 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0452","0.0399","","0.0441","0.0396","0.0386","","","","","","1.1293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122332","39.8417","0.0003","13.1343","0.0001","45.0886","0.0004","90","","103.456","0.0008","90","","22946.9","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{In{B(NArCH)2}}2{C6H10}]. 0.25(C6H14)","","- C223 H315 B8 In4 N16 -","- C223 H315 B8 In4 N16 -","- C892 H1260 B32 In16 N64 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0444","0.0391","","0.0257","0.0244","0.024","","","","","","1.0376","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122333","24.2497","0.0004","12.5615","0.0001","19.5541","0.0003","90","","113.287","0.0017","90","","5471.19","0.15","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{C6H10}{B(NArCH)2}2","","- C58 H82 B2 N4 -","- C58 H82 B2 N4 -","- C232 H328 B8 N16 -","4","0.5","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0499","0.0451","","0.0669","0.0606","0.0595","","","","","","1.0511","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122334","31.4051","0.0002","18.7937","0.0001","18.5996","0.0001","90","","93.0737","0.0005","90","","10962","0.11","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","[{Ga{B(NArCH)2}}2{C6H10}].(C6H14)","","- C116 H168 B4 Ga2 N8 -","- C116 H168 B4 Ga2 N8 -","- C464 H672 B16 Ga8 N32 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0264","0.0254","","0.0275","0.0271","0.0269","","","","","","1.1127","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122335","18.3798","0.0002","27.1678","0.0003","19.4457","0.0002","90","","92.2554","0.001","90","","9702.47","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","In19{B(NArCH)2}}6","","- C156 H213 B6 In19 N12 -","- C156 H213 B6 In19 N12 -","- C312 H426 B12 In38 N24 -","2","0.5","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0955","0.0709","","0.1042","0.0881","0.0853","","","","","","1.0735","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122336","10.1486","0.0002","19.1068","0.0003","10.4402","0.0002","90","","116.444","0.001","90","","1812.61","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H56 Fe O3 P4 -","- C35 H56 Fe O3 P4 -","- C70 H112 Fe2 O6 P8 -","2","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Mechanistic studies of ammonia borane dehydrogenation catalyzed by iron pincer complexes.","Journal of the American Chemical Society","2014","136","31","11153","11161","10.1021/ja5058423","","","1.54178","CuKα","","0.0463","0.039","","","0.083","0.086","","","","","","0.92","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122337","7.1363","0.0005","21.1151","0.0017","23.2821","0.0018","90","","90","","90","","3508.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H30 N2 O8 S -","- C41 H30 N2 O8 S -","- C164 H120 N8 O32 S4 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0863","0.0648","","","0.1501","0.1714","","","","","","1.093","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122338","11.5054","0.0009","11.633","0.0007","12.6576","0.0009","67.629","0.006","77.98","0.006","63.713","0.007","1403","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Br N O5 S -","- C32 H28 Br N O5 S -","- C64 H56 Br2 N2 O10 S2 -","2","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0681","0.0421","","","0.0832","0.0946","","","","","","1.023","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122339","14.7523","0.0014","8.2733","0.0009","17.2655","0.0015","90","","93.721","0.008","90","","2102.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.091","0.0533","","","0.1249","0.1496","","","","","","1.03","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122340","11.429","0.004","14.606","0.005","18.998","0.007","90","","93.961","0.006","90","","3163.8","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl4 I3 In N4 -","- C26 H20 Cl4 I3 In N4 -","- C104 H80 Cl16 I12 In4 N16 -","4","1","","Surendra, Karavadhi; Corey, E. J.","Diiodoindium(III) Cation, InI2(+), a Potent Yneophile. Generation and Application to Cationic Cyclization by Selective π-Activation of C\τb C.","Journal of the American Chemical Society","2014","136","31","10918","10920","10.1021/ja506502p","","","0.71073","MoKα","","0.0556","0.0469","","","0.1358","0.1425","","","","","","1.036","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122341","18.9078","0.0002","9.9378","0.0001","21.7123","0.0002","90","","90","","90","","4079.78","0.07","180","2","180","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","[Mo2(MeOPhNCHNPhOMe)2(ThCO2)2]","","","- C40 H36 Mo2 N4 O8 S2 -","- C40 H36 Mo2 N4 O8 S2 -","- C160 H144 Mo8 N16 O32 S8 -","4","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Gustafson, Terry L.; Spilker, Thomas F.","Photophysical Properties of cis-Mo2 Quadruply Bonded Complexes and Observation of Photoinduced Electron Transfer to Titanium Dioxide.","Journal of the American Chemical Society","2014","136","32","11428","11435","10.1021/ja504944d","","x-ray","0.71073","MoKα","","0.0492","0.0289","","","0.0651","0.0713","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122342","12.7307","0.0006","9.8601","0.0003","17.6478","0.001","90","","90","","90","","2215.26","0.18","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H19 Cu N7 O5 -","- C21 H19 Cu N7 O5 -","- C84 H76 Cu4 N28 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0651","0.0586","","","0.2439","0.2499","","","","","","1.1","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122343","12.5529","0.0005","9.9941","0.0004","17.6881","0.0008","90","","90","","90","","2219.06","0.16","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0531","0.0368","","","0.1036","0.1143","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122344","12.6065","0.0008","10.137","0.001","17.5701","0.0012","90","","90","","90","","2245.3","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 Cu N6 O5 -","- C18 H14 Cu N6 O5 -","- C72 H56 Cu4 N24 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1106","0.0669","","","0.1926","0.234","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122345","12.6285","0.0009","10.0104","0.0007","17.6492","0.001","90","","90","","90","","2231.1","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0871","0.0572","","","0.1304","0.1496","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122346","12.3348","0.0009","9.936","0.0007","17.8259","0.0014","90","","90","","90","","2184.7","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18.75 H12 Cu N6 O5.5 -","- C18.75 H12 Cu N6 O5.5 -","- C75 H48 Cu4 N24 O22 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1224","0.0637","","","0.1773","0.2099","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122347","12.6868","0.0009","9.9923","0.0006","17.6153","0.0007","90","","90","","90","","2233.1","0.2","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1071","0.0506","","","0.1414","0.168","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122348","6.221","0.0008","6.9277","0.0009","12.0077","0.0016","81.138","0.002","88.858","0.001","71.3","0.002","484.09","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0296","0.0282","","","0.069","0.0698","","","","","","1.099","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122349","37.143","0.005","13.161","0.003","34.426","0.005","90","","93.675","0.01","90","","16794","5","100","2","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C114 H140 F48 N12 O20 P8 Pt2 S8 -","- C114 H140 F48 N12 O20 P8 Pt2 S8 -","- C456 H560 F192 N48 O80 P32 Pt8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1189","0.0848","","","0.2084","0.2244","","","","","","1.074","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122350","13.7152","0.0005","20.7673","0.0007","33.7422","0.001","105.106","0.002","92.137","0.002","103.604","0.002","8968.4","0.5","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H158 F45 N18 O22 P7 Pd2 S8 -","- C128 H158 F45 N18 O22 P7 Pd2 S8 -","- C256 H316 F90 N36 O44 P14 Pd4 S16 -","2","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1481","0.1274","","","0.375","0.3933","","","","","","1.609","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122351","13.8756","0.0005","17.1561","0.0007","21.5948","0.0008","72.636","0.002","71.569","0.002","68.962","0.001","4451.5","0.3","100","2","99.96","","","","","","","","","8","P -1","-P 1","2","","","","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","1","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.0753","0.0645","","","0.1744","0.1857","","","","","","1.112","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122352","35.6937","0.001","12.349","0.0004","39.6287","0.0011","90","","99.3191","0.0019","90","","17237.1","0.9","100","2","100.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H146 F48 N14 O20 P8 Pt2 S8 -","- C118 H146 F47.988 N14 O20 P7.998 Pt2 S8 -","- C472 H584 F191.952 N56 O80 P31.992 Pt8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1332","0.1208","","","0.3123","0.3193","","","","","","1.168","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122353","35.8988","0.0019","12.3423","0.0006","39.878","0.002","90","","100.002","0.004","90","","17400.4","1.5","100","2","99.99","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C114 H140 F48 N12 O20 P8 Pd2 S8 -","- C114 H140 F47.988 N12 O20 P7.998 Pd2 S8 -","- C456 H560 F191.952 N48 O80 P31.992 Pd8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1534","0.1249","","","0.3567","0.3771","","","","","","1.541","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122354","20.9976","0.0011","33.2264","0.0017","26.4897","0.0015","90","","100.672","0.003","90","","18161.5","1.7","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C140 H179 F48 N25 O20 P8 Pt2 S8 -","- C140 H179 F48 N25 O20 P8 Pt2 S8 -","- C560 H716 F192 N100 O80 P32 Pt8 S32 -","4","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.0661","0.0544","","","0.1385","0.1454","","","","","","1.035","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122355","17.1706","0.0008","20.6416","0.001","27.7781","0.0014","104.377","0.002","102.42","0.002","99.953","0.002","9043.6","0.8","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C132 H167 Cl2 F42 N21 O28 P7 Pt2 S8 -","- C132 H167 Cl2 F42 N21 O28 P7 Pt2 S8 -","- C264 H334 Cl4 F84 N42 O56 P14 Pt4 S16 -","2","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.061","0.0581","","","0.1591","0.1617","","","","","","1.034","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122356","9.835","0.005","15.598","0.007","17.538","0.008","91.992","0.009","98.322","0.011","100.485","0.008","2612","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H69 N5 O8 S2 -","- C54 H69 N5 O8 S2 -","- C108 H138 N10 O16 S4 -","2","1","","Minami, Tsuyoshi; Liu, Yuanli; Akdeniz, Ali; Koutnik, Petr; Esipenko, Nina A.; Nishiyabu, Ryuhei; Kubo, Yuji; Anzenbacher, Jr, Pavel","Intramolecular indicator displacement assay for anions: supramolecular sensor for glyphosate.","Journal of the American Chemical Society","2014","136","32","11396","11401","10.1021/ja504535q","","","0.71075","MoKα","","0.1693","0.1031","","","0.2235","0.2604","","","","","","1.047","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122357","18.444","0.004","16.057","0.004","29.515","0.007","90","","100.282","0.003","90","","8601","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H124 Fe2 O8 S4 Ti2 -","- C88 H124 Fe2 O8 S4 Ti2 -","- C352 H496 Fe8 O32 S16 Ti8 -","4","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0524","0.0358","","","0.0859","0.0945","","","","","","1.022","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122358","10.836","0.007","11.793","0.007","19.921","0.012","76.643","0.006","78.145","0.006","77.061","0.006","2382","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 Fe N2 O4 Zr -","- C50 H76 Fe N2 O4 Zr -","- C100 H152 Fe2 N4 O8 Zr2 -","2","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0779","0.0601","","","0.1778","0.1913","","","","","","1.034","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122359","15.096","0.0015","21.837","0.002","15.1478","0.0015","90","","105.24","0.001","90","","4817.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Fe O4 S2 Zr -","- C48 H70 Fe O4 S2 Zr -","- C192 H280 Fe4 O16 S8 Zr4 -","4","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0377","0.0285","","","0.0652","0.0695","","","","","","1.028","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122360","14.473","0.005","15.609","0.006","24.403","0.012","100.831","0.006","97.394","0.006","108.14","0.004","5041","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H82 B F24 Fe O4 S2 Zr -","- C80 H82 B F24 Fe O4 S2 Zr -","- C160 H164 B2 F48 Fe2 O8 S4 Zr2 -","2","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.1033","0.0586","","","0.1466","0.1626","","","","","","0.934","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122361","20.1882","0.0003","53.1595","0.0011","10.6226","0.0002","90","","90","","90","","11400.1","0.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H32 B Cl Ge N4 -","- C26 H32 B Cl Ge N4 -","- C416 H512 B16 Cl16 Ge16 N64 -","16","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","0.71073","MoKα","","0.0692","0.0645","","","0.1768","0.1831","","","","","","1.059","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122362","7.5731","0.0003","10.4197","0.0004","17.7599","0.0007","97.417","0.003","101.763","0.003","110.37","0.003","1255.27","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 B Ge N4 -","- C26 H33 B Ge N4 -","- C52 H66 B2 Ge2 N8 -","2","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0393","0.0378","","","0.0975","0.0983","","","","","","1.068","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122363","19.2755","0.0001","15.9897","0.0001","20.4354","0.0001","90","","100.198","0.001","90","","6198.88","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H48 B2 F20 Ge N4 -","- C69 H48 B2 F20 Ge N4 -","- C276 H192 B8 F80 Ge4 N16 -","4","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0458","0.0412","","","0.1091","0.1134","","","","","","1.031","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122364","12.6153","0.0001","21.4829","0.0002","28.9327","0.0003","90","","94.419","0.001","90","","7817.83","0.13","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H65 B3 F20 Ge2 N8 -","- C76 H65 B3 F20 Ge2 N8 -","- C304 H260 B12 F80 Ge8 N32 -","4","0.5","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0424","0.0387","","","0.0976","0.1001","","","","","","1.045","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122365","24.038","0.001","12.212","0.001","25.595","0.001","90","","102.96","0.001","90","","7322.1","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 I4 O2 P4 Si4 -","- C64 H80 Cu4 I4 O2 P4 Si4 -","- C256 H320 Cu16 I16 O8 P16 Si16 -","4","0.5","","Benito, Quentin; Le Goff, Xavier F.; Maron, Sébastien; Fargues, Alexandre; Garcia, Alain; Martineau, Charlotte; Taulelle, Francis; Kahlal, Samia; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.","Journal of the American Chemical Society","2014","136","32","11311","11320","10.1021/ja500247b","","","0.71069","MoKα","","0.0626","0.0369","","","0.1017","0.1169","","","","","","1.014","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122366","13.842","0.001","21.994","0.001","27.547","0.001","68.732","0.001","88.849","0.001","89.974","0.001","7813.5","0.7","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65 H81 Cl3 Cu4 I4 O2 P4 Si4 -","- C64.5 H80.5 Cl1.5 Cu4 I4 O2 P4 Si4 -","- C258 H322 Cl6 Cu16 I16 O8 P16 Si16 -","4","2","","Benito, Quentin; Le Goff, Xavier F.; Maron, Sébastien; Fargues, Alexandre; Garcia, Alain; Martineau, Charlotte; Taulelle, Francis; Kahlal, Samia; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.","Journal of the American Chemical Society","2014","136","32","11311","11320","10.1021/ja500247b","","","0.71069","MoKα","","0.066","0.0496","","","0.103","0.1125","","","","","","1.038","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122367","11.4948","0.0004","13.0509","0.0005","14.1702","0.0005","94.897","0.003","98.175","0.002","114.503","0.002","1889.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C78 H68 Br4 Cl4 N8 O12 -","2","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0555","0.0353","","","0.081","0.0885","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122368","12.973","0.003","26.717","0.005","11.882","0.002","90","","105.3","0.03","90","","3972.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Br2 Cl4 N4 O6 -","- C40 H36 Br2 Cl4 N4 O6 -","- C160 H144 Br8 Cl16 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0597","0.0442","","","0.0895","0.0962","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122369","14.512","0.0005","22.916","0.001","12.015","0.0004","90","","113.674","0.009","90","","3659.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C156 H136 Br8 Cl8 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0378","0.0336","","","0.0763","0.0785","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122370","7.8436","0.0009","9.7124","0.0011","12.4551","0.0013","85.689","0.002","77.537","0.001","83.59","0.002","919.4","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl4 Co2 N10 O3 -","- C36 H28 Cl4 Co2 N10 O3 -","- C36 H28 Cl4 Co2 N10 O3 -","1","0.5","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.0618","0.0494","","","0.1318","0.1418","","","","","","1.052","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122371","11.086","0.008","12.066","0.008","14.35","0.01","90","","90","","90","","1920","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 Co N6 O3 -","- C18 H13 Cl2 Co N6 O3 -","- C72 H52 Cl8 Co4 N24 O12 -","4","1","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.1396","0.0753","","","0.1195","0.1406","","","","","","1.016","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122372","13.173","0.002","17.403","0.002","17.237","0.002","90","","108.58","0.02","90","","3745.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl2 Fe N2 -","- C40 H62 Cl2 Fe N2 -","- C160 H248 Cl8 Fe4 N8 -","4","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.71073","MoKα","","0.0431","0.0317","","","0.0715","0.0764","","","","","","1.033","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122373","11.224","0.002","19.524","0.003","16.903","0.002","90","","97.29","0.02","90","","3674.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl Fe N2 -","- C40 H62 Cl Fe N2 -","- C160 H248 Cl4 Fe4 N8 -","4","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.71073","MoKα","","0.0338","0.03","","","0.0715","0.0733","","","","","","1.031","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122374","13.666","0.002","15.211","0.002","18.071","0.003","68.51","0.02","89","0.02","68.72","0.02","3228","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H67 B F21 Fe N2 -","- C70 H67 B F20.999 Fe N2 -","- C140 H134 B2 F41.998 Fe2 N4 -","2","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.56086","AgKα","","0.0463","0.032","","","0.0707","0.0767","","","","","","1.024","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122375","20.238","0.007","7.02","0.002","16.081","0.005","90","","104.318","0.007","90","","2213.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F3 N2 O2 -","- C26 H19 F3 N2 O2 -","- C104 H76 F12 N8 O8 -","4","1","","Shang, Ming; Wang, Hong-Li; Sun, Shang-Zheng; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-Mediated Ortho C-H Alkynylation of (Hetero)Arenes with Terminal Alkynes.","Journal of the American Chemical Society","2014","136","33","11590","11593","10.1021/ja507704b","","","0.71073","MoKα","","0.1412","0.067","","","0.1525","0.1853","","","","","","0.991","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122376","10.0589","0.0017","8.5755","0.0014","11.8802","0.0018","90","","102.345","0.004","90","","1001.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B N3 -","- C9 H14 B N3 -","- C36 H56 B4 N12 -","4","1","","Chrostowska, Anna; Xu, Senmiao; Mazière, Audrey; Boknevitz, Katherine; Li, Bo; Abbey, Eric R.; Dargelos, Alain; Graciaa, Alain; Liu, Shih-Yuan","UV-Photoelectron Spectroscopy of BN Indoles: Experimental and Computational Electronic Structure Analysis.","Journal of the American Chemical Society","2014","136","33","11813","11820","10.1021/ja5063899","","","0.71073","MoKα","","0.0666","0.0551","","","0.151","0.1576","","","","","","1.08","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122377","8.2531","0.0004","8.6096","0.0004","9.5178","0.0004","79.778","0.002","67.137","0.002","86.49","0.002","613.25","0.05","75","","75","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","x-ray","0.71073","MoKα","","0.0429","0.0346","","","0.0768","0.0811","","","","","","1.041","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122378","8.1117","0.0006","8.6455","0.0006","9.4731","0.0007","80.493","0.003","67.797","0.003","90.205","0.004","605.05","0.08","4","","4","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","x-ray","0.71073","MoKα","","0.0455","0.0352","","","0.0748","0.0808","","","","","","1.07","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122379","8.269","0.0007","8.6278","0.0005","9.5105","0.0008","79.743","0.006","67.282","0.008","86.453","0.006","615.85","0.09","99.9","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","","1.54184","CuKα","","0.0372","0.036","","","0.0996","0.1007","","","","","","1.07","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122380","11.2431","0.0007","10.1867","0.0006","8.9687","0.0006","90","","104.512","0.007","90","","994.41","0.11","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C40 H40 N16 -","4","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0613","0.043","","","0.0913","0.1014","","","","","","1.021","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122381","9.3288","0.0005","8.9949","0.0004","27.023","0.0013","90","","90","","90","","2267.54","0.19","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0599","0.0457","","","0.1032","0.1114","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122382","10.9517","0.0002","9.02967","0.00016","13.0861","0.0003","90","","105.544","0.001","90","","1246.76","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C60 H68 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.05","","","","0.1137","","","","","","1.047","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122383","9.1575","0.00017","8.68997","0.00016","14.1387","0.0003","90","","110.322","0.0008","90","","1055.1","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C50 H64 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.0437","","","","0.1065","","","","","","1.079","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122384","18.3618","0.0015","11.6411","0.001","25.598","0.002","90","","90","","90","","5471.6","0.8","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Br2 N2 O2 -","- C30 H32 Br2 N2 O2 -","- C240 H256 Br16 N16 O16 -","8","2","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","0.71073","","","0.0505","0.0421","","","0.0919","0.0973","","","","","","1.037","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122385","17.0006","0.0002","20.7788","0.0003","43.9704","0.0007","90","","90.9576","0.0014","90","","15530.5","0.4","123","0.1","123","0.1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C276 H212 B6 Cu3 F24 N22 O26 -","- C276 H212 B6 Cu3 F24 N22 O26 -","- C552 H424 B12 Cu6 F48 N44 O52 -","2","0.5","","Gütz, Christoph; Hovorka, Rainer; Struch, Niklas; Bunzen, Jens; Meyer-Eppler, Georg; Qu, Zheng-Wang; Grimme, Stefan; Topić, Filip; Rissanen, Kari; Cetina, Mario; Engeser, Marianne; Lützen, Arne","Enantiomerically Pure Trinuclear Helicates via Diastereoselective Self-Assembly and Characterization of Their Redox Chemistry.","Journal of the American Chemical Society","2014","136","33","11830","11838","10.1021/ja506327c","","","1.54184","CuKα","","0.0992","0.0855","","","0.2383","0.265","","","","","","1.069","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122386","6.8074","0.0006","21.719","0.002","7.9131","0.0007","90","","90","","90","","1169.95","0.18","200","2","200","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Hsu, Yen-Hao; Chen, Yi-An; Tseng, Huan-Wei; Zhang, Zhiyun; Shen, Jiun-Yi; Chuang, Wei-Ti; Lin, Tzu-Chieh; Lee, Chun-Shu; Hung, Wen-Yi; Hong, Bor-Cherng; Liu, Shih-Hung; Chou, Pi-Tai","Locked ortho- and para-Core Chromophores of Green Fluorescent Protein; Dramatic Emission Enhancement via Structural Constraint.","Journal of the American Chemical Society","2014","136","33","11805","11812","10.1021/ja5062856","","","0.71073","MoKα","","0.0419","0.0376","","","0.0908","0.0934","","","","","","1.058","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122387","10.14297","0.00019","15.8652","0.0003","15.3256","0.0003","90","","93.3717","0.0017","90","","2461.93","0.08","173","","173","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C61 H45 Cl N2 O P2 Ru S -","- C61 H45 Cl N2 O P2 Ru S -","- C122 H90 Cl2 N4 O2 P4 Ru2 S2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0372","0.0289","","","0.056","0.0583","","","","","","1.032","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122388","10.2934","0.0002","14.2153","0.0004","17.9941","0.0005","101.858","0.003","99.784","0.002","104.373","0.002","2427.39","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H42 Cl2 O2 P2 Ru -","- C56 H41 Cl O2 P2 Ru -","- C112 H82 Cl2 O4 P4 Ru2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0383","0.0309","","","0.084","0.0885","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122389","16.8857","0.0011","15.4251","0.001","17.7335","0.0012","90","","108.652","0.001","90","","4376.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C208 H176 N16 O16 S8 -","8","1","","Lee, Dong Jin; Han, Hong Sik; Shin, Jinhwan; Yoo, Eun Jeong","Multicomponent [5 + 2] cycloaddition reaction for the synthesis of 1,4-diazepines: isolation and reactivity of azomethine ylides.","Journal of the American Chemical Society","2014","136","33","11606","11609","10.1021/ja5061609","","","0.71073","MoKα","","0.1175","0.0549","","","0.1266","0.1712","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122390","17.4891","0.0013","15.2366","0.0011","25.185","0.0018","90","","104.285","0.001","90","","6503.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 N2 O11 P8 -","- C72 H60 N2 O11 P8 -","- C288 H240 N8 O44 P32 -","4","1","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0581","0.0407","","","0.1009","0.1127","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122391","12.3062","0.0011","13.1808","0.0012","21.0215","0.0018","90","","105.085","0.002","90","","3292.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H64 N2 O12 P8 -","- C72.99 H63.99 N2 O12 P8 -","- C145.98 H127.98 N4 O24 P16 -","2","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0796","0.0592","","","0.1558","0.1741","","","","","","1.035","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122392","11.1026","0.0013","13.4157","0.0015","26.153","0.003","99.245","0.003","98.482","0.003","92.599","0.003","3793.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H79 N5 O13 P8 Sn -","- C72 H60 N2 O12 P8 Sn -","- C144 H120 N4 O24 P16 Sn2 -","2","1","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0352","0.0299","","","0.0767","0.079","","","","","","1.044","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122393","19.9148","0.0009","16.3924","0.0007","19.9502","0.0009","90","","90","","90","","6512.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H62 N2 O12 P8 -","- C72 H62 N2 O12 P8 -","- C288 H248 N8 O48 P32 -","4","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0465","0.0371","","","0.097","0.1039","","","","","","1.042","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122394","9.1075","0.0006","15.6495","0.001","24.771","0.0015","90","","96.561","0.001","90","","3507.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C153.41 H136.92 Cr2 N7.3 O24.7 P16 -","- C153.408 H136.928 Cr2 N7.296 O24.704 P16 -","- C153.408 H136.928 Cr2 N7.296 O24.704 P16 -","1","0.25","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0731","0.0494","","","0.1274","0.1448","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122395","8.3968","0.0007","11.0492","0.0005","15.0735","0.0005","78.892","0.005","77.533","0.011","89.288","0.006","1339.31","0.15","50","","50","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C48 H30 O8 S24 -","2","1","","Ueda, Akira; Yamada, Shota; Isono, Takayuki; Kamo, Hiromichi; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Yamamoto, Kaoru; Nishio, Yutaka; Mori, Hatsumi","Hydrogen-Bond-Dynamics-Based Switching of Conductivity and Magnetism: A Phase Transition Caused by Deuterium and Electron Transfer in a Hydrogen-Bonded Purely Organic Conductor Crystal.","Journal of the American Chemical Society","2014","136","34","12184","","10.1021/ja507132m","","","1","synchrotron","","","0.0497","","","","0.1435","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122396","29.3102","0.0005","8.4609","0.0005","11.2404","0.0007","90","","100.833","0.0007","90","","2737.8","0.2","270","","270","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Yamada, Shota; Isono, Takayuki; Kamo, Hiromichi; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Yamamoto, Kaoru; Nishio, Yutaka; Mori, Hatsumi","Hydrogen-Bond-Dynamics-Based Switching of Conductivity and Magnetism: A Phase Transition Caused by Deuterium and Electron Transfer in a Hydrogen-Bonded Purely Organic Conductor Crystal.","Journal of the American Chemical Society","2014","136","34","12184","","10.1021/ja507132m","","","1","synchrotron","","","0.0344","","","","0.096","","","","","","1.01","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122397","29.158","0.003","15.807","0.0017","20.093","0.002","90","","127.454","0.003","90","","7351.7","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-phosphonium-Naphthalenediimide Mono-tetraphenylborate radical cation","","","- C86 H78 B N2 O4 P2 -","- C86 H78 B N2 O4 P2 -","- C344 H312 B4 N8 O16 P8 -","4","0.5","","Kumar, Sharvan; Ajayakumar, M. R.; Hundal, Geeta; Mukhopadhyay, Pritam","Extraordinary stability of naphthalenediimide radical ion and its ultra-electron-deficient precursor: strategic role of the phosphonium group.","Journal of the American Chemical Society","2014","136","34","12004","12010","10.1021/ja504903j","","","0.71073","MoKα","","0.0901","0.0542","","","0.1239","0.1383","","","","","","0.933","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122398","11.263","0.003","12.13","0.004","12.624","0.005","105.577","0.005","101.089","0.003","110.247","0.005","1479","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis-phosphonium Naphthalenediimide bis-tetrafluoroborate","","","- C62 H58 B2 F8 N2 O4 P2 -","- C62 H58 B2 F8 N2 O4 P2 -","- C62 H58 B2 F8 N2 O4 P2 -","1","0.5","","Kumar, Sharvan; Ajayakumar, M. R.; Hundal, Geeta; Mukhopadhyay, Pritam","Extraordinary stability of naphthalenediimide radical ion and its ultra-electron-deficient precursor: strategic role of the phosphonium group.","Journal of the American Chemical Society","2014","136","34","12004","12010","10.1021/ja504903j","","","0.71073","MoKα","","0.0873","0.0547","","","0.1287","0.1403","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122399","8.9765","0.001","14.1455","0.0015","22.268","0.003","90","","98.591","0.002","90","","2795.8","0.6","93","","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 N O3 P Pd S -","- C25 H40 Cl2 N O3 P Pd S -","- C100 H160 Cl8 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.031","0.0301","","","0.0676","0.0683","","","","","","1.124","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122400","9.359","0.002","27.437","0.007","15.074","0.004","90","","104.467","0.003","90","","3748","1.6","93","","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Cl2 N O3 P Pd S -","- C33 H56 Cl2 N O3 P Pd S -","- C132 H224 Cl8 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.043","0.0376","","","0.0795","0.0827","","","","","","1.071","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122401","13.797","0.012","8.394","0.007","18.318","0.016","90","","91.825","0.004","90","","2120","3","103.15","","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N O3 P Pd S -","- C20 H30 N O3 P Pd S -","- C80 H120 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.7107","MoKα","","0.0956","0.0819","","","0.1676","0.1764","","","","","","1.233","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122402","13.59","0.003","16.051","0.004","16.89","0.004","90","","111.273","0.0011","90","","3433.2","1.4","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 N O3 P Pd S -","- C28 H40 Cl6 N O3 P Pd S -","- C112 H160 Cl24 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.7107","MoKα","","0.0335","0.0308","","","0.0721","0.0737","","","","","","1.08","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122403","9.8649","0.0015","15.274","0.002","12.1669","0.0019","90","","111.051","0.0017","90","","1710.9","0.4","93","","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H54 N O3 P Pd S -","- C34 H54 N O3 P Pd S -","- C68 H108 N2 O6 P2 Pd2 S2 -","2","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0296","0.0286","","","0.0553","0.056","","","","","","1.088","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122404","8.496","0.002","33.064","0.008","8.677","0.002","90","","107.978","0.003","90","","2318.5","0.9","93","","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N O3 P Pd S -","- C22 H34 N O3 P Pd S -","- C88 H136 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0559","0.0504","","","0.107","0.111","","","","","","1.128","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122405","12.807","0.003","19.191","0.004","13.761","0.003","90","","91.137","0.009","90","","3381.5","1.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CC4-244","hartwig54","","- C57 H79 O16 P2 Rh Si3 -","- C57 H79 O16 P2 Rh Si3 -","- C114 H158 O32 P4 Rh2 Si6 -","2","1","","Cheng, Chen; Hartwig, John F.","Mechanism of the Rhodium-Catalyzed Silylation of Arene C-H Bonds.","Journal of the American Chemical Society","2014","136","34","12064","","10.1021/ja505844k","","","0.71073","MoKα","","0.0374","0.0332","","","0.076","0.0786","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4122406","7.9765","0.0012","13.299","0.002","18.161","0.003","90","","98.877","0.007","90","","1903.4","0.5","100","2","99.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Grenning, Alexander J.; Boyce, Jonathan H.; Porco, Jr, John A","Rapid Synthesis of Polyprenylated Acylphloroglucinol Analogs via Dearomative Conjunctive Allylic Annulation.","Journal of the American Chemical Society","2014","136","33","11799","11804","10.1021/ja5060302","","","1.54178","CuKα","","0.0444","0.0414","","","0.101","0.103","","","","","","1.075","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122407","9.1291","0.0013","10.2451","0.0015","13.7745","0.0017","101.548","0.004","93.004","0.004","100.111","0.004","1237.5","0.3","198","2","198","2","","","","","","","","5","P 1","P 1","1","ccs21feb13","","","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.047","0.0429","","","0.1118","0.116","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122408","10.214","0.002","13.715","0.003","34.474","0.007","90","","90","","90","","4829.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs17dec12","","","- C40 H84 Li4 N4 O6 -","- C40 H84 Li4 N4 O6 -","- C160 H336 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0562","0.0448","","","0.1153","0.123","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122409","8.9565","0.0018","10.492","0.002","18.558","0.005","89.85","0.04","82.26","0.04","65.3","0.03","1567.1","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","ccs11dec12","","","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.1767","0.0992","","","0.1818","0.2054","","","","","","1.085","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4122410","8.9946","0.0006","37.481","0.002","9.9308","0.0007","90","","105.613","0.004","90","","3224.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs15nov12","","","- C58 H122 Li4 N4 O7 -","- C58 H122 Li4 N4 O7 -","- C116 H244 Li8 N8 O14 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0515","0.0493","","","0.1395","0.142","","","","","","1.085","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122411","14.037","0.005","10.268","0.004","17.665","0.006","90","","105.542","0.012","90","","2453","1.5","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H88 Li4 N4 O6 -","- C40 H88 Li4 N4 O6 -","- C80 H176 Li8 N8 O12 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0591","0.0482","","","0.1163","0.1234","","","","","","1.04","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4122412","9.5393","0.0009","15.8463","0.0014","10.6314","0.001","90","","116.505","0.003","90","","1438.2","0.2","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs14jul13","","","- C25 H54 Li2 N2 O3 -","- C25 H54 Li2 N2 O3 -","- C50 H108 Li4 N4 O6 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.051","0.0432","","","0.1048","0.1107","","","","","","1.032","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122413","10.8399","0.0009","12.751","0.001","36.398","0.003","90","","90","","90","","5030.9","0.7","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs23feb13","","","- C42 H92 Li4 N4 O6 -","- C42 H92 Li4 N4 O6 -","- C168 H368 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0787","0.072","","","0.1966","0.2028","","","","","","1.03","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122414","11.7311","0.0011","23.326","0.002","8.5134","0.0008","90","","105.081","0.001","90","","2249.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O6 -","- C27 H23 N O6 -","- C108 H92 N4 O24 -","4","1","","Nicolaou, K. C.; Hale, Christopher R. H.; Nilewski, Christian; Ioannidou, Heraklidia A.; ElMarrouni, Abdelatif; Nilewski, Lizanne G.; Beabout, Kathryn; Wang, Tim T.; Shamoo, Yousif","Total synthesis of viridicatumtoxin B and analogues thereof: strategy evolution, structural revision, and biological evaluation.","Journal of the American Chemical Society","2014","136","34","12137","12160","10.1021/ja506472u","","","0.71073","MoKα","","0.0683","0.0492","","","0.1443","0.1681","","","","","","0.987","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122415","16.0786","0.0003","10.613","0.0002","14.3637","0.0002","90","","95.66","0.0007","90","","2439.1","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 O7 -","- C29 H34 O7 -","- C116 H136 O28 -","4","1","","Nicolaou, K. C.; Hale, Christopher R. H.; Nilewski, Christian; Ioannidou, Heraklidia A.; ElMarrouni, Abdelatif; Nilewski, Lizanne G.; Beabout, Kathryn; Wang, Tim T.; Shamoo, Yousif","Total synthesis of viridicatumtoxin B and analogues thereof: strategy evolution, structural revision, and biological evaluation.","Journal of the American Chemical Society","2014","136","34","12137","12160","10.1021/ja506472u","","x-ray","1.54178","CuKα","","0.0402","0.0366","","","0.0954","0.0977","","","","","","1.046","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122416","8.416","0.004","8.646","0.004","12.186","0.005","90","","90.944","0.007","90","","886.6","0.7","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N4 O6 -","- C6 H4 N4 O6 -","- C24 H16 N16 O24 -","4","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.1349","0.0987","","","0.2784","0.3233","","","","","","1.151","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122417","4.871","0.0008","4.871","0.0008","32.266","0.006","90","","90","","90","","765.6","0.2","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1-nitrourea","","- C H3 N3 O3 -","- C H3 N3 O3 -","- C8 H24 N24 O24 -","8","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0261","0.0239","","","0.0656","0.0672","","","","","","1.139","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122418","11.866","0.004","6.713","0.002","10.848","0.004","90","","93.929","0.004","90","","862.1","0.5","293","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N,2,2,2-tetranitroacetimidic acid","","- C2 H N5 O9 -","- C2 H N5 O9 -","- C8 H4 N20 O36 -","4","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0962","0.0775","","","0.2329","0.2577","","","","","","1.071","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122419","5.8369","0.0003","10.0255","0.0006","14.6488","0.001","99.062","0.003","90.651","0.003","97.731","0.003","838.36","0.09","150","2","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H4 F0.5 N6 O13 S -","- C4 H7 F6 N5 O13 S2 -","- C8 H14 F12 N10 O26 S4 -","2","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0683","0.0488","","","0.1127","0.122","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122420","6.1018","0.0009","9.0572","0.0014","30.82","0.005","90","","90","","90","","1703.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O3 P S -","- C18 H20 N O3 P S -","- C72 H80 N4 O12 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0337","0.0301","","","0.0764","0.0789","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122421","6.4382","0.0012","13.849","0.003","21.164","0.004","90","","90","","90","","1887","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0419","0.0352","","","0.0862","0.0897","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122422","6.3278","0.0002","10.3004","0.0002","25.6219","0.0006","90","","90","","90","","1670.01","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O2 P S -","- C18 H20 N O2 P S -","- C72 H80 N4 O8 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","1.54178","CuKα","","0.025","0.0244","","","0.064","0.0643","","","","","","1.059","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122423","9.2056","0.0018","10.937","0.002","11.481","0.002","90","","90.869","0.002","90","","1155.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl N O4 S -","- C24 H28 Cl N O4 S -","- C48 H56 Cl2 N2 O8 S2 -","2","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.029","0.0284","","","0.0786","0.0793","","","","","","1.053","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122424","12.406","0.003","10.684","0.003","14.798","0.004","90","","96.189","0.003","90","","1950","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 N O3 P S -","- C22 H22 N O3 P S -","- C88 H88 N4 O12 P4 S4 -","4","2","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0635","0.0435","","","0.0886","0.0971","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122425","27.62","0.0009","29.0891","0.0008","27.3169","0.0008","90","","90","","90","","21947.5","1.1","150","2","150","2","","","","","","","","4","P 2 2 21","P 2c 2","17","Au20(SPhBu-t)16","","","- C160 H208 Au20 S16 -","- C160 H208 Au20 S16 -","- C640 H832 Au80 S64 -","4","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Gold-Thiolate Ring as a Protecting Motif in the Au20(SR)16 Nanocluster and Implications.","Journal of the American Chemical Society","2014","136","34","11922","","10.1021/ja506802n","","","1.54178","CuKα","","0.1303","0.0568","","","0.1313","0.1663","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122426","21.438","0.004","21.438","0.004","23.126","0.004","90","","90","","90","","10628","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl20 Na4 O320 Si8 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1141","0.0685","","","0.155","0.1948","","","","","","1.151","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122427","21.416","0.003","21.416","0.003","23.133","0.003","90","","90","","90","","10610","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl20 Ge8 Na4 O320 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1043","0.0666","","","0.1516","0.1747","","","","","","1.177","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122428","17.778","0.003","17.778","0.003","45.221","0.013","90","","90","","120","","12378","5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Na9 O77.5 Sb2 Sn6 W18 -","- Na9 O78.47 Sb2 Sn6 W18 -","- Na54 O470.82 Sb12 Sn36 W108 -","6","0.166667","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1204","0.068","","","0.1841","0.2252","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122429","11.567","0.005","24.266","0.005","18.216","0.005","90","","95.568","0.005","90","","5089","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H133 N10 V2 -","- C121 H133 N10 V2 -","- C242 H266 N20 V4 -","2","0.5","","Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.","N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.","Journal of the American Chemical Society","2014","136","34","12099","","10.1021/ja5062196","","","1.54184","CuKα","","0.0553","0.0413","","","0.1033","0.1108","","","","","","1.024","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122430","9.095","0.005","25.897","0.005","19.745","0.005","90","","98.202","0.005","90","","4603","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 N5 V -","- C55 H58 N5 V -","- C220 H232 N20 V4 -","4","1","","Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.","N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.","Journal of the American Chemical Society","2014","136","34","12099","","10.1021/ja5062196","","","1.54184","CuKα","","0.0525","0.0401","","","0.0956","0.1014","","","","","","1.025","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122431","9.2952","0.0005","10.6071","0.0005","11.2809","0.0005","97.188","0.001","103.871","0.001","95.533","0.002","1062.05","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-([1,1'-biphenyl]-4-yl)-5-(2-iodophenyl)-2-phenylfuran","","- C28 H19 I O -","- C28 H19 I O -","- C56 H38 I2 O2 -","2","1","","Lu, Beili; Wu, Junliang; Yoshikai, Naohiko","Palladium-catalyzed condensation of N-aryl imines and alkynylbenziodoxolones to form multisubstituted furans.","Journal of the American Chemical Society","2014","136","33","11598","11601","10.1021/ja5059795","","","0.71073","MoKα","","0.028","0.0248","","","0.0565","0.0583","","","","","","1.064","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122432","28.3662","0.0007","28.3662","0.0007","13.223","0.0004","90","","90","","90","","10639.8","0.5","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C480 H576 N32 O32 -","16","0.5","","Zheng, Yonghao; Miao, Mao-Sheng; Zhang, Yuan; Nguyen, Thuc-Quyen; Wudl, Fred","Striking Effect of Intra- versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties.","Journal of the American Chemical Society","2014","136","33","11614","11617","10.1021/ja506803y","","","0.71073","MoKα","","0.0584","0.0378","","","0.0923","0.102","","","","","","1.024","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4122433","5.9209","0.0006","10.6607","0.0012","17.0647","0.0019","90","","99.223","0.001","90","","1063.2","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H35 N O3 S Si -","- C19 H35 N O3 S Si -","- C38 H70 N2 O6 S2 Si2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0308","0.0279","","","0.0669","0.069","","","","","","1.098","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122434","12.835","0.0006","5.6272","0.0003","12.9187","0.0006","90","","113.133","0.002","90","","858.03","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0273","0.0258","","","0.0683","0.0695","","","","","","1.073","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122435","6.2283","0.0003","13.7866","0.0007","15.3937","0.0008","90","","90","","90","","1321.81","0.12","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0741","0.054","","","0.1115","0.1179","","","","","","1.141","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122436","42.2274","0.0019","12.4325","0.0009","24.635","0.0015","90","","120.314","0.003","90","","11164.9","1.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H104 N16 O16 Ru4 -","- C116 H98 N16 O16 Ru4 -","- C464 H392 N64 O64 Ru16 -","4","0.5","","Cao, Zhi; Xi, Bin; Jodoin, Diane S.; Zhang, Lei; Cummings, Steven P.; Gao, Yang; Tyler, Sarah F.; Fanwick, Phillip E.; Crutchley, Robert J.; Ren, Tong","Diruthenium-Polyyn-diyl-Diruthenium Wires: Electronic Coupling in the Long Distance Regime.","Journal of the American Chemical Society","2014","136","34","12174","","10.1021/ja507107t","","","0.71073","MO-Kα","","0.105","0.082","","","0.201","0.215","","","","","","1.085","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122437","63.138","0.0003","63.138","0.0003","41.609","0.0003","90","","90","","120","","143648","1.4","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C1476 H756 B72 Br72 F288 N144 O72 Pd36 -","8","0.444444","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","0.75","synchrotron","","0.2598","0.2139","","","0.4951","0.5207","","","","","","1.976","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122438","24.636","0.0007","13.136","0.0003","48.4001","0.0012","90","","98.9838","0.0017","90","","15471","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H69.5 Br F24 N7.5 O6 P4 -","- C77 H69.5 Br F24 N7.5 O6 P4 -","- C616 H556 Br8 F192 N60 O48 P32 -","8","1","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","1.54178","CuKα","","0.0719","0.0508","","","0.113","0.1227","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122439","10.3162","0.0013","10.3415","0.0012","13.3153","0.0016","76.268","0.003","85.716","0.003","63.111","0.003","1229.9","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","esk15jan14","","","- C44 H68 Fe2 N2 O4 S6 -","- C44 H68 Fe2 N2 O4 S6 -","- C44 H68 Fe2 N2 O4 S6 -","1","0.5","","Tran, Camly T.; Williard, Paul G.; Kim, Eunsuk","Nitric Oxide Reactivity of [2Fe-2S] Clusters Leading to H2S Generation.","Journal of the American Chemical Society","2014","136","34","11874","","10.1021/ja505415c","","","0.71073","","","0.0267","0.0238","","","0.0657","0.068","","","","","","1.006","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122440","25.8595","0.001","25.8595","","6.7766","0.0004","90","","90","","120","","3924.5","0.3","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H2.05 Co O3 -","- C4 H2.046 Co O3 -","- C72 H36.828 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.0775","","","","","","","","","0.03547","","0.99","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122441","25.8419","0.0017","25.8419","","6.781","0.0007","90","","90","","120","","3921.7","0.5","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D1.69 O3 -","- C4 H Co D1.69 O3 -","- C72 H18 Co18 D30.42 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05711","","0.91","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122442","25.8734","0.0023","25.8734","","6.7677","0.0009","90","","90","","120","","3923.5","0.6","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06401","","0.93","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122443","25.8781","0.001","25.8781","","6.88197","0.00033","90","","90","","120","","3991.2","0.2","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D4.92 O3 -","- C4 H Co D4.912 O3 -","- C72 H18 Co18 D88.416 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.07748","","1.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122444","25.776","0.005","25.776","","6.7544","0.0017","90","","90","","120","","3886.4","1.2","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D3.85 Ni O3 -","- C4 H D3.855 Ni O3 -","- C72 H18 D69.39 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.14026","","1.29","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122445","25.8923","0.0017","25.8923","","6.8115","0.0006","90","","90","","120","","3954.7","0.4","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D5.63 O3 -","- C4 H Co D5.62762 O3 -","- C72 H18 Co18 D101.297 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05497","","0.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122446","25.8826","0.001","25.8826","","6.803","0.0004","90","","90","","120","","3946.8","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D3.47 O3 -","- C4 H Co D3.474 O3 -","- C72 H18 Co18 D62.532 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05113","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122447","25.749","0.004","25.749","","6.739","0.0012","90","","90","","120","","3869.4","0.9","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D1.97 Ni O3 -","- C4 H D1.97 Ni O3 -","- C72 H18 D35.46 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06133","","0.99","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122448","25.8806","0.0017","25.8806","","6.8038","0.0006","90","","90","","120","","3946.7","0.4","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D3.73 O3 -","- C4 H Co D3.94262 O3 -","- C72 H18 Co18 D70.9672 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06241","","0.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122449","25.8902","0.0007","25.8902","","6.79046","0.00029","90","","90","","120","","3941.9","0.2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Co O3 -","- C4 H1.5 Co O3 -","- C72 H27 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","x-ray","0.7291","","","","","","","","","0.1551","","2.12","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122450","25.8518","0.0012","25.8518","","6.7881","0.0005","90","","90","","120","","3928.8","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D2.37 O3 -","- C4 H Co D2.37 O3 -","- C72 H18 Co18 D42.66 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.04809","","1.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122451","25.802","0.005","25.802","","6.7613","0.0017","90","","90","","120","","3898.2","1.2","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D5.77 Ni O3 -","- C4 H2 D5.77 Ni O3 -","- C72 H36 D103.86 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.13436","","1.24","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122452","25.8707","0.001","25.8707","","6.8687","0.0004","90","","90","","120","","3981.3","0.3","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D1.59 O3 -","- C4 H Co D1.589 O3 -","- C72 H18 Co18 D28.602 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08687","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122453","25.8521","0.0018","25.8521","","6.7898","0.0007","90","","90","","120","","3929.9","0.5","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D2.71 O3 -","- C4 H Co D2.71 O3 -","- C72 H18 Co18 D48.78 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.0811","","0.94","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122454","25.9008","0.0011","25.9008","","6.8104","0.0004","90","","90","","120","","3956.7","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D4.49 O3 -","- C4 H Co D5.012 O3 -","- C72 H18 Co18 D90.216 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05108","","1.07","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122455","25.797","0.005","25.797","","6.7292","0.0017","90","","90","","120","","3878.2","1.2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Ni O3 -","- C4 H Ni O3 -","- C72 H18 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08281","","1.09","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122456","9.2299","0.0005","16.0158","0.0008","31.6935","0.0014","90","","90","","90","","4685.1","0.4","295.5","0.3","295.5","0.3","","","","","","","","4","F 2 d d","F -2d 2","43","Gd13Fe10C12.02O0.98","","","- C12.02 Fe10 Gd13 O0.98 -","- C12.02 Fe10 Gd13 O0.98 -","- C96.16 Fe80 Gd104 O7.84 -","8","0.5","","Hadler, Amelia B.; Yannello, Vincent J.; Bi, Wenli; Alp, E. Ercan; Fredrickson, Daniel C.","π-Conjugation in Gd13Fe10C13 and Its Oxycarbide: Unexpected Connections between Complex Carbides and Simple Organic Molecules.","Journal of the American Chemical Society","2014","136","34","12073","","10.1021/ja505868w","","x-ray","0.7107","MoKα","","0.0274","0.0243","","","0.0507","0.0523","","","","1.07","1.07","1.06","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122457","9.4878","0.0013","23.854","0.003","28.076","0.004","88.995","0.003","83.354","0.003","87.937","0.003","6306.9","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ge9Tl-(Si(Si(CH3)3)3)3","","- C27 H81 Ge9 Si12 Tl -","- C27 H81 Ge9 Si12 Tl -","- C108 H324 Ge36 Si48 Tl4 -","4","2","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.049","0.0348","","","0.0781","0.0898","","","","","","0.988","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122458","23.163","0.005","23.872","0.005","23.166","0.005","90","","99.96","0.03","90","","12617","5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","EthyltrisupersilylGe9","","","- C29 H86 Ge9 Si12 -","- C29 H86 Ge9 Si12 -","- C232 H688 Ge72 Si96 -","8","2","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.0571","0.035","","","0.0699","0.0793","","","","","","1.012","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122459","64.496","0.014","64.496","0.014","22.031","0.005","90","","90","","120","","79365","3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H108 Ge9 Si12 Sn -","- C39 H108 Ge9 Si12 Sn -","- C1638 H4536 Ge378 Si504 Sn42 -","42","2.33333","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.2022","0.1028","","","0.242","0.2883","","","","","","0.949","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122460","10.3059","0.0006","12.9893","0.0007","17.987","0.001","90","","98.516","0.001","90","","2381.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25 N2 O0.5 S2 -","- C26.5 H25 N2 O0.5 S2 -","- C106 H100 N8 O2 S8 -","4","1","","Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.","Journal of the American Chemical Society","2014","136","34","11886","","10.1021/ja505589d","","","0.71073","MoKα","","0.0879","0.0511","","","0.1438","0.1628","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122461","16.71","0.003","16.71","0.003","29.89","0.009","90","","90","","90","","8346","3","150","2","150","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C48 H24 N6 O9 Zn3 -","- C48 H24 N6 O9 Zn3 -","- C96 H48 N12 O18 Zn6 -","2","0.125","","Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.","Journal of the American Chemical Society","2014","136","34","11886","","10.1021/ja505589d","","","1.0333","synchrotron","","0.1025","0.0536","","","0.1407","0.1579","","","","","","0.904","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122462","13.744","0.005","14.024","0.006","20.665","0.008","90","","90","","90","","3983","3","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C164 H102 Cl8 N34 O56 Ru4 -","4","1","","Wendlandt, Alison E.; Stahl, Shannon S.","Modular o-Quinone Catalyst System for Dehydrogenation of Tetrahydroquinolines under Ambient Conditions.","Journal of the American Chemical Society","2014","136","34","11910","","10.1021/ja506546w","","","0.71073","MoKα","","0.0489","0.0383","","","0.088","0.0934","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122463","9.461","0.003","10.261","0.004","10.66","0.004","92.65","0.004","96.611","0.005","102.491","0.005","1000.9","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 O12 Ru2 -","- C44 H36 N2 O12 Ru2 -","- C44 H36 N2 O12 Ru2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Zhang, Jun; Miyasaka, Hitoshi","Gate-Opening Gas Adsorption and Host-Guest Interacting Gas Trapping Behavior of Porous Coordination Polymers under Applied AC Electric Fields.","Journal of the American Chemical Society","2014","136","35","12304","12313","10.1021/ja504992g","","","0.7107","MoKα","","","0.0532","","","","0.1123","","","","","","1.092","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122464","8.8996","0.0008","12.883","0.0011","14.7781","0.0013","104.639","0.001","106.725","0.001","90.984","0.001","1562.6","0.2","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Fe O3 P2 Pd S2 -","- C32 H30 Fe O3 P2 Pd S2 -","- C64 H60 Fe2 O6 P4 Pd2 S4 -","2","1","","Huynh, Mioy T.; Schilter, David; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.","Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.","Journal of the American Chemical Society","2014","136","35","12385","12395","10.1021/ja505783z","","","0.71073","MoKα","","0.0381","0.0285","","","0.0643","0.0684","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122465","11.4661","0.0008","20.6923","0.0014","34.72","0.002","90","","97.412","0.001","90","","8168.8","0.9","178","2","178","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C76 H88 B2 F8 Fe2 O9 P4 Pd2 S4 -","- C76 H88 B2 F8 Fe2 O9 P4 Pd2 S4 -","- C304 H352 B8 F32 Fe8 O36 P16 Pd8 S16 -","4","1","","Huynh, Mioy T.; Schilter, David; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.","Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.","Journal of the American Chemical Society","2014","136","35","12385","12395","10.1021/ja505783z","","","0.71073","MoKα","","0.059","0.0369","","","0.0754","0.0838","","","","","","1.032","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122466","11.643","0.002","14.53","0.003","18.161","0.004","101.94","0.03","98.01","0.03","110.07","0.03","2748.4","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Au Cl13 F6 N6 O6 S2 -","- C31 H44 Au Cl13 F6 N6 O6 S2 -","- C62 H88 Au2 Cl26 F12 N12 O12 S4 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0374","0.0314","","","0.0761","0.079","","","","","","1.04","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122467","18.626","0.004","22.161","0.004","18.053","0.004","90","","109.19","0.03","90","","7038","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Au3 Cl6 F3 N12 O3 S -","- C49 H60 Au3 Cl6 F3 N12 O3 S -","- C196 H240 Au12 Cl24 F12 N48 O12 S4 -","4","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0626","0.0515","","","0.1375","0.1469","","","","","","1.05","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4122468","6.957","0.0014","12.76","0.003","14.536","0.003","90","","90","","90","","1290.4","0.5","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H20 Au Cl3 N4 -","- C11 H18 Au Cl3 N4 -","- C22 H36 Au2 Cl6 N8 -","2","0.125","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0519","0.0519","","","0.136","0.136","","","","","","1.23","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122469","10.876","0.002","14.998","0.003","15.432","0.003","85.31","0.03","83.96","0.03","71.84","0.03","2375.4","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H46 Au F9 N10 O9 S3 -","- C35 H46 Au F9 N10 O9 S3 -","- C70 H92 Au2 F18 N20 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0395","0.032","","","0.0735","0.0777","","","","","","1.044","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122470","10.684","0.002","12.227","0.002","16.079","0.003","70.76","0.03","77.74","0.03","66.98","0.03","1816.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Au F9 N6 O9 S3 -","- C27 H30 Au F9 N6 O9 S3 -","- C54 H60 Au2 F18 N12 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0446","0.0324","","","0.0754","0.0828","","","","","","1.055","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122471","12.544","0.003","18.171","0.004","21.209","0.004","65.18","0.03","80.58","0.03","70.1","0.03","4125","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H56 Au2 F15 N16 O15 S5 -","- C57 H56 Au2 F15 N16 O15 S5 -","- C114 H112 Au4 F30 N32 O30 S10 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.051","0.0392","","","0.1062","0.1124","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122472","16.682","0.003","20.298","0.004","20.273","0.004","90","","106.09","0.03","90","","6596","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Au F6 N6 O6.5 S2 -","- C23 H28 Au F6 N6 O6.5 S2 -","- C184 H224 Au8 F48 N48 O52 S16 -","8","2","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0696","0.052","","","0.1233","0.1379","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122473","8.5228","0.0017","13.81","0.003","15.57","0.003","108.65","0.03","91.73","0.03","91.36","0.03","1734.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Au F9 N5 O9 S3 -","- C28 H24 Au F9 N5 O9 S3 -","- C56 H48 Au2 F18 N10 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1057","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122474","8.8637","0.0018","9.888","0.002","12.962","0.003","78.51","0.03","80.16","0.03","79.86","0.03","1085","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Au F6 N3 O7 S2 -","- C17 H12 Au F6 N3 O7 S2 -","- C34 H24 Au2 F12 N6 O14 S4 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0379","0.0325","","","0.0803","0.084","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122475","18.657","0.004","10.618","0.002","6.9703","0.0015","90","","95.02","0.002","90","","1375.5","0.5","173","2","173.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C4 H12 P2 S2 -","- C4 H12 P2 S2 -","- C24 H72 P12 S12 -","6","0.75","","Chitnis, Saurabh S.; Whalen, J. Marc; Burford, Neil","Influence of charge and coordination number on bond dissociation energies, distances, and vibrational frequencies for the phosphorus-phosphorus bond.","Journal of the American Chemical Society","2014","136","35","12498","12506","10.1021/ja507413s","","x-ray","0.71073","MoKα","","0.0227","0.0206","","","0.0555","0.0573","","","","","","1.082","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122476","6.2924","0.0007","8.6702","0.001","12.9527","0.0015","105.432","0.002","90.451","0.002","105.118","0.001","655.33","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 Eu2 O17 -","- C5 H4 Eu2 O17 -","- C10 H8 Eu4 O34 -","2","1","","Tang, Qun; Liu, Yiwei; Liu, Shuxia; He, Danfeng; Miao, Jun; Wang, Xingquan; Yang, Guocheng; Shi, Zhan; Zheng, Zhiping","High Proton Conduction at above 100 °C Mediated by Hydrogen Bonding in a Lanthanide Metal-Organic Framework.","Journal of the American Chemical Society","2014","136","35","12444","12449","10.1021/ja5069855","","","0.71073","MoKα","","0.049","0.0372","","","0.0839","0.09","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122477","8.234","0.002","19.756","0.005","36.5075","0.001","90","","90","","90","","5939","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 F6 N P -","- C13 H18 F6 N P -","- C208 H288 F96 N16 P16 -","16","4","","Song, Guoyong; O, Wylie W N; Hou, Zhaomin","Enantioselective C-h bond addition of pyridines to alkenes catalyzed by chiral half-sandwich rare-Earth complexes.","Journal of the American Chemical Society","2014","136","35","12209","12212","10.1021/ja504995f","","","0.71073","MoKα","","0.1249","0.1121","","","0.3264","0.3467","","","","","","1.471","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122478","10.6448","0.0001","15.6854","0.0002","19.2083","0.0003","81.764","0.001","82.5","0.001","83.311","0.001","3131.27","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 B F20 Hf P -","- C70 H58 B F20 Hf P -","- C140 H116 B2 F40 Hf2 P2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0387","0.0352","","","0.0848","0.088","","","","","","1.062","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122479","15.6707","0.0003","16.586","0.0003","16.7336","0.0003","79.476","0.001","75.337","0.001","79.407","0.001","4093.36","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 B F20 P Si Zr -","- C64 H56 B F20 P Si Zr -","- C128 H112 B2 F40 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0987","0.0716","","","0.1792","0.1965","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122480","16.0769","0.0001","18.9665","0.0002","19.7085","0.0002","90","","106.073","0.001","90","","5774.65","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B F20 Hf P Si -","- C62 H52 B F20 Hf P Si -","- C248 H208 B4 F80 Hf4 P4 Si4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0372","0.0316","","","0.0691","0.0733","","","","","","1.061","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122481","15.4699","0.0003","16.5362","0.0002","17.1816","0.0002","62.033","0.001","68.595","0.001","89.086","0.001","3549.27","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H42 B F30 P Si Zr -","- C62 H42 B F30 P Si Zr -","- C124 H84 B2 F60 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.07","0.0583","","","0.1546","0.1624","","","","","","1.067","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122482","15.4954","0.0002","16.5161","0.0003","17.202","0.0003","62.092","0.001","68.712","0.001","89.188","0.001","3559.5","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H52 B F30 Hf P Si -","- C67 H52 B F30 Hf P Si -","- C134 H104 B2 F60 Hf2 P2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0488","0.0436","","","0.1104","0.1138","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122483","11.5569","0.0001","21.2895","0.0004","29.9729","0.0004","98.752","0.001","93.267","0.001","103.887","0.001","7041.96","0.18","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C69.5 H66 B F20 N P Si Zr -","- C69.5 H66 B F20 N P Si Zr -","- C278 H264 B4 F80 N4 P4 Si4 Zr4 -","4","2","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0643","0.0508","","","0.133","0.1414","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122484","16.2626","0.0001","18.8643","0.0002","19.8286","0.0003","90","","105.342","0.001","90","","5866.29","0.12","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B F20 O P Si Zr -","- C62 H52 B F20 O P Si Zr -","- C248 H208 B4 F80 O4 P4 Si4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0679","0.0533","","","0.1159","0.1277","","","","","","1.075","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122485","15.7896","0.0002","16.613","0.0002","16.9718","0.0003","66.066","0.001","80.618","0.001","79.197","0.001","3978.2","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H80 B F20 O P Si Zr -","- C81 H80 B F20 O P Si Zr -","- C162 H160 B2 F40 O2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0827","0.066","","","0.1629","0.1739","","","","","","1.047","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122486","15.788","0.0002","16.5313","0.0002","16.9244","0.0003","66.311","0.001","80.705","0.001","79.221","0.001","3955.28","0.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C72 H62 B Cl2 F20 Hf O P Si -","- C72 H62 B Cl2 F20 Hf O P Si -","- C144 H124 B2 Cl4 F40 Hf2 O2 P2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0426","0.0384","","","0.0964","0.0991","","","","","","1.051","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122487","12.0999","0.0002","17.267","0.0003","17.9375","0.0003","82.385","0.001","80.823","0.001","83.898","0.001","3653.15","0.11","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H57 B F20 N O P Si Zr -","- C68 H57 B F20 N O P Si Zr -","- C136 H114 B2 F40 N2 O2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.061","0.054","","","0.1501","0.1565","","","","","","1.056","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122488","12.6262","0.0001","15.4237","0.0002","19.7312","0.0004","103.725","0.001","97.999","0.001","111.023","0.001","3376.07","0.09","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H62 B F20 O2 P S Si Zr -","- C67 H62 B F20 O2 P S Si Zr -","- C134 H124 B2 F40 O4 P2 S2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0642","0.0561","","","0.1455","0.1521","","","","","","1.037","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122489","12.6158","0.0001","15.4455","0.0002","19.6719","0.0002","103.71","0.001","98.041","0.001","111.153","0.001","3363.88","0.07","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H52 B F20 Hf O2 P S Si -","- C62 H52 B F20 Hf O2 P S Si -","- C124 H104 B2 F40 Hf2 O4 P2 S2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0375","0.035","","","0.0939","0.0961","","","","","","1.038","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122490","12.2824","0.0002","17.4197","0.0003","18.0458","0.0004","81.278","0.001","81.595","0.001","84.991","0.002","3766.97","0.12","223","2","223","2","","","","","","","","10","P -1","-P 1","2","","","","- C78 H77 B F20 N O P S Si Zr -","- C78 H77 B F20 N O P S Si Zr -","- C156 H154 B2 F40 N2 O2 P2 S2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0598","0.0495","","","0.1125","0.1213","","","","","","1.068","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122491","12.6173","0.0002","17.7631","0.0003","18.1774","0.0002","88.657","0.001","78.536","0.001","87.268","0.001","3987.74","0.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H66 B Cl3 F20 Ir P Si Zr -","- C71 H66 B Cl3 F20 Ir P Si Zr -","- C142 H132 B2 Cl6 F40 Ir2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.05","0.0438","","","0.1102","0.1143","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122492","11.732","0.0008","17.4804","0.0011","25.4536","0.0015","90","","96.9037","0.0014","90","","5182.2","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Cl4 -","- C72 H46 Cl4 -","- C288 H184 Cl16 -","4","1","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.1252","0.0656","","","0.174","0.2154","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122493","14.719","0.002","13.335","0.002","13.137","0.002","90","","118.001","0.003","90","","2276.7","0.6","200","","200","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C35 H20 -","- C35 H21 -","- C140 H84 -","4","0.5","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.0752","0.0485","","","0.1112","0.1268","","","","","","1.046","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122494","9.5286","0.0009","17.5723","0.0018","19.0353","0.0017","90","","94.805","0.002","90","","3176.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 Cl6 -","- C37 H23 Cl6 -","- C148 H92 Cl24 -","4","1","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.1888","0.0825","","","0.2142","0.2635","","","","","","0.893","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122495","12.947","0.0004","12.7291","0.0003","28.2335","0.0006","90","","96.669","0.001","90","","4621.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 -","- C35 H21 -","- C280 H168 -","8","2","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.0806","0.0513","","","0.1361","0.1592","","","","","","1.155","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122496","9.1206","0.0002","9.3526","0.0002","13.6329","0.001","79.823","0.006","85.785","0.006","81.629","0.006","1131.05","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl3 N3 O3 Pd -","- C21 H22 Cl3 N3 O3 Pd -","- C42 H44 Cl6 N6 O6 Pd2 -","2","1","","Camasso, Nicole M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.","C(sp³)-O bond-forming reductive elimination from Pd(IV) with diverse oxygen nucleophiles.","Journal of the American Chemical Society","2014","136","36","12771","12775","10.1021/ja507056u","","","1.54178","CuKα","","0.0385","0.0369","","","0.097","0.0993","","","","","","1.09","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122497","12.1221","0.0003","18.9912","0.0004","20.5152","0.0003","108.304","0.002","96.657","0.002","95.751","0.002","4406.7","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H65 K10 O99 Si2 W18 -","- Fe3.027 K10.3 O95.9 Si2 W17.973 -","- Fe6.054 K20.6 O191.8 Si4 W35.946 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0652","0.0457","","","0.0907","0.0994","","","","","","1.019","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122498","20.2088","0.0008","22.0401","0.0006","22.1265","0.0009","106.343","0.003","101.315","0.003","109.851","0.003","8417.5","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- Cl Fe3.5 H51.5 K5 Li6 O83.5 Si1.5 W15 -","- Cl Fe3.16665 K5.05 O85.5 Si1.5 W15 -","- Cl4 Fe12.6666 K20.2 O342 Si6 W60 -","4","2","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0875","0.0469","","","0.0976","0.1167","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122499","11.2309","0.0003","21.0954","0.0006","17.965","0.0006","90","","105.02","0.003","90","","4110.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Fe3 H95 K8 O114 Si2 W18 -","- Fe3 K7.8 O87.6 Si2 W18 -","- Fe6 K15.6 O175.2 Si4 W36 -","2","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.067","0.047","","","0.102","0.113","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122500","33.7297","0.0004","23.7222","0.0003","23.5641","0.0005","90","","91.152","0.002","90","","18850.8","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Fe10 H90 K14 O183 Si4 W36 -","- Fe10 K14 O179.5 Si4 W36 -","- Fe40 K56 O718 Si16 W144 -","4","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.058","0.041","","","0.098","0.108","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122501","12.5311","0.0007","18.5287","0.0011","20.3263","0.0013","76.707","0.002","84.117","0.002","74.896","0.002","4429.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H61 K10 O98 Si2 W18 -","- Fe3 K10 O98 Si2 W18 -","- Fe6 K20 O196 Si4 W36 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.024","0.021","","","0.049","0.05","","","","","","1.087","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122502","12.382","0.0005","19.411","0.0008","22.2451","0.0009","114.182","0.002","95.372","0.002","93.305","0.002","4828.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe11 H100 K13 O189 Si4 W36 -","- Fe11 K12.44 O187 Si4 W36 -","- Fe11 K12.44 O187 Si4 W36 -","1","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0459","0.0328","","","0.0794","0.0855","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122503","12.6679","0.0002","18.3023","0.0004","19.2853","0.0004","77.37","0.002","89.658","0.002","72.081","0.002","4142.43","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H54 K10 O95 Si2 W18 -","- Fe3.008 K10.5 O92.4 Si2 W17.992 -","- Fe6.016 K21 O184.8 Si4 W35.984 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0399","0.0304","","","0.0632","0.0664","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122504","7.3107","0.0003","9.0733","0.0003","26.4224","0.001","90","","90","","90","","1752.66","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ECC-9-020-1","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","K-L~3~","0.027","0.0263","","","0.0679","0.0687","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4122505","11.6331","0.0003","14.2907","0.0004","29.0902","0.0008","90","","90","","90","","4836.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N O5 P -","- C24 H42 N O5 P -","- C192 H336 N8 O40 P8 -","8","2","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0352","0.0319","","","0.0796","0.0813","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122506","8.094","0.0003","12.9407","0.0004","16.7992","0.0006","90","","90","","90","","1759.58","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ECC-10-164-1","","","- C20 H30 Cl N O2 -","- C20 H30 Cl N O2 -","- C80 H120 Cl4 N4 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0272","0.0268","","","0.0693","0.0695","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122507","7.3343","0.0002","9.0194","0.0003","26.3328","0.0008","90","","90","","90","","1741.94","0.09","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","","0.0321","0.0318","","","0.0809","0.0812","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122508","13.2491","0.0002","13.6484","0.0003","13.7598","0.0003","75.4215","0.0007","70.2656","0.0007","75.5401","0.0007","2229.27","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Partially Constrained Triarylborane Pyridine Adduct","","","- C35 H20 B N -","- C35 H20 B N -","- C140 H80 B4 N4 -","4","2","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.0418","0.0373","","","0.0959","0.0987","","","","","","1.074","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122509","23.4202","0.001","3.8518","0.0002","23.7888","0.0012","90","","116.409","0.004","90","","1922.03","0.17","123","2","123","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Partially Constrained Triarylborane Brominated Derivative","","","- C30 H13.44 B Br1.56 -","- C30 H13.436 B Br1.564 -","- C120 H53.744 B4 Br6.256 -","4","1","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.1076","0.0816","","","0.1889","0.2093","","","","","","1.091","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122510","11.005","","11.005","","21.5849","0.0002","90","","90","","120","","2263.92","0.02","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 La O7 -","- C12 H18 La O7 -","- C72 H108 La6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.033","0.0287","","","0.0562","0.0581","","","","","","1.081","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122511","10.9931","0.0001","10.9931","0.0001","21.518","0.0004","90","","90","","120","","2252.02","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Ce O7 -","- C12 H18 Ce O7 -","- C72 H108 Ce6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0295","0.0267","","","0.0621","0.0632","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122512","10.9771","0.0002","10.9771","0.0002","21.421","0.0007","90","","90","","120","","2235.35","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Pr -","- C12 H18 O7 Pr -","- C72 H108 O42 Pr6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.02","0.0198","","","0.048","0.0481","","","","","","1.173","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122513","10.982","","10.982","","21.3443","0.0003","90","","90","","120","","2229.34","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Nd O7 -","- C12 H18 Nd O7 -","- C72 H108 Nd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0387","0.0317","","","0.0684","0.0717","","","","","","0.953","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122514","10.955","0","10.955","0","21.226","0.0003","90","","90","","120","","2206.09","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0324","0.0281","","","0.061","0.0625","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122515","10.9566","0.0002","10.9566","0.0002","21.2225","0.0005","90","","90","","120","","2206.37","0.08","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0338","0.0287","","","0.0588","0.0603","","","","","","1.075","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122516","10.942","0.0001","10.942","0.0001","21.1487","0.0005","90","","90","","120","","2192.84","0.06","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Eu O7 -","- C12 H18 Eu O7 -","- C72 H108 Eu6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0227","0.0218","","","0.0528","0.053","","","","","","1.019","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122517","10.9392","0.0001","10.9392","0.0001","21.0904","0.0004","90","","90","","120","","2185.68","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Gd O7 -","- C12 H18 Gd O7 -","- C72 H108 Gd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0221","0.0204","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122518","10.9244","0.0002","10.9244","0.0002","21.0072","0.0007","90","","90","","120","","2171.17","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Tb -","- C12 H18 O7 Tb -","- C72 H108 O42 Tb6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.056","0.0507","","","0.1262","0.1285","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122519","10.908","0","10.908","0","20.9429","0.0003","90","","90","","120","","2158.03","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Dy O7 -","- C12 H18 Dy O7 -","- C72 H108 Dy6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0251","0.024","","","0.0542","0.0546","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122520","8.2383","0.0003","10.9075","0.0005","14.7942","0.0006","90","","90","","90","","1329.4","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0375","0.0327","","","0.0696","0.0718","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122521","8.1926","0.0001","10.8934","0.0001","14.7834","0.0001","90","","90","","90","","1319.35","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0253","0.0237","","","0.0564","0.0571","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122522","8.1608","0.0001","10.9191","0.0001","14.7591","0.0002","90","","90","","90","","1315.16","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0318","0.0276","","","0.0629","0.0645","","","","","","1.05","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122523","8.1229","0.0003","10.9348","0.0004","14.7351","0.0008","90","","90","","90","","1308.81","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.038","0.0322","","","0.0758","0.0786","","","","","","0.998","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122524","8.1002","0.0001","10.9327","0.0001","14.721","0.0001","90","","90","","90","","1303.65","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tm -","- C11 H15 O6 Tm -","- C44 H60 O24 Tm4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0469","0.0356","","","0.076","0.0805","","","","","","1.035","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122525","8.0669","0.0002","10.9191","0.0003","14.7177","0.0004","90","","90","","90","","1296.38","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Yb -","- C11 H15 O6 Yb -","- C44 H60 O24 Yb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0376","0.0301","","","0.0613","0.0643","","","","","","1.083","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122526","8.0349","0.0003","10.9499","0.0004","14.6841","0.0005","90","","90","","90","","1291.93","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Lu O6 -","- C11 H15 Lu O6 -","- C44 H60 Lu4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0458","0.0351","","","0.0913","0.1093","","","","","","1.094","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122527","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y -","- C11 H15 O6 Y -","- C44 H60 O24 Y4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0794","0.0553","","","0.1201","0.1325","","","","","","1.029","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122528","10.9487","0.0002","10.9487","0.0002","21.411","0.0007","90","","90","","120","","2222.76","0.09","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C12 H19 La0.259 O7 Pr0.741 -","- C12 H17 La0.259 O7 Pr0.741 -","- C72 H102 La1.554 O42 Pr4.446 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0578","0.0489","","","0.1097","0.1145","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122529","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Gd0.329 O6 Y0.671 -","- C11 H15 Gd0.329 O6 Y0.671 -","- C44 H60 Gd1.316 O24 Y2.684 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0678","0.0497","","","0.1365","0.1438","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122530","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb0.484 Y0.516 -","- C11 H15 O6 Tb0.484 Y0.516 -","- C44 H60 O24 Tb1.936 Y2.064 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.063","0.0417","","","0.1041","0.1131","","","","","","1.043","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122531","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy0.495 O6 Y0.505 -","- C11 H15 Dy0.495 O6 Y0.505 -","- C44 H60 Dy1.98 O24 Y2.02 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0673","0.044","","","0.1076","0.1167","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122532","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho0.558 O6 Y0.442 -","- C11 H15 Ho0.558 O6 Y0.442 -","- C44 H60 Ho2.232 O24 Y1.768 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0758","0.057","","","0.1351","0.1465","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122533","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er0.566 O6 Y0.434 -","- C11 H15 Er0.566 O6 Y0.434 -","- C44 H60 Er2.264 O24 Y1.736 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0621","0.0408","","","0.1006","0.1091","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122534","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y0.392 Yb0.608 -","- C11 H15 O6 Y0.392 Yb0.608 -","- C44 H60 O24 Y1.568 Yb2.432 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1052","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122535","7.9426","0.0008","13.8624","0.0019","22.203","0.003","90","","90","","90","","2444.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C96 H96 Br8 N8 O32 -","8","2","","Buyck, Thomas; Wang, Qian; Zhu, Jieping","Triple Role of Phenylselenonyl Group Enabled a One-Pot Synthesis of 1,3-Oxazinan-2-ones From α-Isocyanoacetates, Phenyl Vinyl Selenones, and Water.","Journal of the American Chemical Society","2014","136","32","11524","11528","10.1021/ja506031h","","","0.71073","MoKα","","0.0374","0.0278","","","0.0473","0.0505","","","","","","1.105","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122536","9.3027","0.0004","19.5605","0.0008","13.5408","0.0006","90","","94.688","0.002","90","","2455.71","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 Ru -","- C29 H34 N2 Ru -","- C116 H136 N8 Ru4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0695","0.0455","","","0.0991","0.1096","","","","","","1.037","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122537","11.324","0.005","30.125","0.005","13.405","0.005","90","0.005","105.564","0.005","90","0.005","4405","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","hj4187","","","- C45 H60 Ag F3 N2 O3 Ru S Si -","- C45 H60 Ag F3 N2 O3 Ru S Si -","- C180 H240 Ag4 F12 N8 O12 Ru4 S4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0519","0.0348","","","0.073","0.0824","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122538","21.079","0.008","8.837","0.003","20.204","0.008","90","","94.557","0.006","90","","3752","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 N2 Ru Si -","- C43 H49 N2 Ru Si -","- C172 H196 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.2334","0.092","","","0.146","0.1942","","","","","","0.923","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122539","46.2094","0.0015","12.0283","0.0004","19.2661","0.0006","90","","109.314","0.002","90","","10105.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","hj4057","","","- C54.5 H67 Br N2 O Ru Si -","- C54.5 H67 Br N2 O Ru Si -","- C436 H536 Br8 N16 O8 Ru8 Si8 -","8","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0658","0.0394","","","0.0849","0.0963","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122540","10.2942","0.0006","31.8285","0.0017","12.239","0.0007","90","","105.762","0.002","90","","3859.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hj4032","","","- C44 H60 N2 Ru Si -","- C44 H60 N2 Ru Si -","- C176 H240 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0375","0.0344","","","0.0848","0.0865","","","","","","1.079","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122541","8.6531","0.0007","21.9806","0.0017","13.3874","0.001","90","","90.939","0.001","90","","2545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N4 Ru -","- C29 H34 N4 Ru -","- C116 H136 N16 Ru4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0593","0.0429","","","0.0851","0.094","","","","","","1.115","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122542","8.8302","0.0005","11.981","0.0007","15.2909","0.0008","79.908","0.005","81.84","0.005","83.374","0.005","1569.73","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Cl8 O6 Si2 -","- C23 H24 Cl8 O6 Si2 -","- C46 H48 Cl16 O12 Si4 -","2","1","","Guo, Xingwei; Mayr, Herbert","Quantification of the ambident electrophilicities of halogen-substituted quinones.","Journal of the American Chemical Society","2014","136","32","11499","11512","10.1021/ja505613b","","","0.71073","MoKα","","0.0505","0.036","","","0.0784","0.0875","","","","","","1.04","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122543","12.0384","0.0007","6.1634","0.0004","16.5271","0.0009","90","","101.491","0.002","90","","1201.69","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl4 O4 -","- C10 H6 Cl4 O4 -","- C40 H24 Cl16 O16 -","4","1","","Guo, Xingwei; Mayr, Herbert","Quantification of the ambident electrophilicities of halogen-substituted quinones.","Journal of the American Chemical Society","2014","136","32","11499","11512","10.1021/ja505613b","","","0.71073","MoKα","","0.0716","0.0524","","","0.0962","0.102","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122544","19.262","0.004","19.262","0.004","27.055","0.006","90","","90","","120","","8693","3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C19 H17 N -","- C19 H15 N -","- C456 H360 N24 -","24","1.33333","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1904","0.1005","","","0.2498","0.2995","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122545","8.0914","0.0016","10.928","0.002","13.83","0.003","107.341","0.003","104.389","0.003","102.082","0.003","1076.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C52 H46 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1786","0.0834","","","0.1367","0.1637","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122546","11.028","0.002","11.747","0.002","12.63","0.003","90","","101.991","0.003","90","","1600.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1455","0.0965","","","0.1863","0.2064","","","","","","1.192","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122547","9.45","0.004","13.149","0.005","16.973","0.007","90","","90","","90","","2109","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S2 -","- C22 H23 N O4 S2 -","- C88 H92 N4 O16 S8 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0949","0.0618","","","0.1223","0.1361","","","","","","1.059","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122548","11.018","0.006","6.443","0.003","21.477","0.011","90","","101.939","0.007","90","","1491.7","1.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1146","0.0634","","","0.1349","0.1545","","","","","","1.014","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122549","8.736","0.003","10.298","0.004","16.885","0.006","90","","94.663","0.005","90","","1514","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0948","0.0554","","","0.1389","0.1622","","","","","","1.012","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122550","9.086","0.004","9.68","0.005","10.479","0.005","101.788","0.007","107.192","0.007","115.555","0.007","733.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1839","0.0896","","","0.1737","0.2112","","","","","","1.062","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122551","10.788","0.006","11.06","0.006","22.393","0.013","90","","91.434","0.008","90","","2671","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C96 H152 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.114","0.0855","","","0.2461","0.2807","","","","","","1.095","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122552","9.171","0.005","9.554","0.005","9.772","0.005","95.532","0.007","111.206","0.007","118.152","0.007","665.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C28 H30 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1549","0.0832","","","0.172","0.2019","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122553","34.23","0.03","15.81","0.013","6.133","0.005","90","","90","","90","","3319","5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1285","0.144","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122554","15.334","0.007","7.84","0.004","11.787","0.005","90","","93.34","0.006","90","","1414.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1237","0.0734","","","0.1675","0.1941","","","","","","1.063","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122555","17.221","0.005","8.952","0.003","17.795","0.005","90","","108.727","0.004","90","","2598.1","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C104 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0914","0.0627","","","0.1729","0.1921","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122556","15.351","0.003","8.6398","0.0019","17.5","0.004","90","","115.598","0.003","90","","2093.2","0.8","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N -","- C14 H13 N -","- C112 H104 N8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0914","0.0652","","","0.169","0.1891","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122557","18.983","0.007","8.172","0.003","19.434","0.007","90","","90","","90","","3014.8","1.9","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0804","0.055","","","0.1049","0.1165","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122558","11.181","0.007","5.799","0.004","17.588","0.011","90","","96.723","0.011","90","","1132.5","1.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C50 H56 N4 O6 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1438","0.0913","","","0.2026","0.2371","","","","","","1.019","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122559","9.422","0.005","6.079","0.003","15.628","0.008","90","","101.009","0.006","90","","878.6","0.8","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0555","0.047","","","0.102","0.1074","","","","","","1.042","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122560","20.834","0.008","6.982","0.003","19.561","0.008","90","","95.085","0.006","90","","2834","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F2 N O2 S -","- C14 H11 F2 N O2 S -","- C112 H88 F16 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.2926","0.1026","","","0.173","0.2356","","","","","","0.946","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122561","6.4489","0.001","17.846","0.003","11.2973","0.0017","90","","94.265","0.002","90","","1296.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.112","0.0751","","","0.1825","0.2064","","","","","","1.028","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122562","7.0804","0.0013","12.724","0.002","15.486","0.003","90","","90","","90","","1395.1","0.4","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0618","0.0473","","","0.0999","0.1073","","","","","","1.084","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122563","12.015","0.004","7.631","0.003","31.475","0.011","90","","90","","90","","2885.8","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1225","0.0931","","","0.1935","0.204","","","","","","1.182","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122564","19.954","0.003","10.0945","0.0013","20.439","0.003","90","","118.375","0.002","90","","3622.3","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C168 H152 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0868","0.0523","","","0.1301","0.1513","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122565","7.577","0.0016","10.156","0.002","11.053","0.002","109.494","0.002","109.76","0.002","94.602","0.003","736.5","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O2 S -","- C15 H20 N O2 S -","- C30 H40 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0484","0.0443","","","0.1214","0.125","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122566","8.3545","0.0006","6.0819","0.0004","13.8786","0.001","90","","106.364","0.003","90","","676.62","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0285","0.0283","","","0.073","0.0731","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122567","10.1568","0.001","6.1364","0.0006","12.3308","0.0012","90","","110.03","0.002","90","","722.05","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0258","0.0257","","","0.065","0.0652","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122568","6.3977","0.0018","8.18","0.002","31.776","0.009","90","","90","","90","","1662.9","0.8","177","2","177","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O S -","- C21 H18 O S -","- C84 H72 O4 S4 -","4","1","","Denmark, Scott E.; Rossi, Sergio; Webster, Matthew P.; Wang, Hao","Catalytic, enantioselective sulfenylation of ketone-derived enoxysilanes.","Journal of the American Chemical Society","2014","136","37","13016","13028","10.1021/ja506133z","","","0.71073","MoKα","","0.0431","0.0327","","","0.0705","0.0753","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122569","7.9385","0.0002","10.9763","0.0003","11.4409","0.0003","97.371","0.002","99.927","0.002","100.842","0.002","951.05","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Au Br P -","- C21 H17 Au Br P -","- C42 H34 Au2 Br2 P2 -","2","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0204","0.0199","","","0.0518","0.0521","","","","","","1.076","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122570","7.9063","0.0016","14.649","0.003","17","0.003","64.53","0.03","82.11","0.03","83.47","0.03","1757.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Au F3 O3 P2 S -","- C40 H32 Au F3 O3 P2 S -","- C80 H64 Au2 F6 O6 P4 S2 -","2","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.1073","0.08","","","0.1636","0.1821","","","","","","1.042","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122571","10.544","0.0001","14.6999","0.0002","14.862","0.0002","90","","93.203","0.001","90","","2299.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 Au F5 P -","- C27 H17 Au F5 P -","- C108 H68 Au4 F20 P4 -","4","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0166","0.0153","","","0.0352","0.0357","","","","","","1.111","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122572","27.8653","0.0007","10.5925","0.0002","24.5903","0.0008","90","","106.431","0.003","90","","6961.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H17 Au F15 P -","- C39 H17 Au F15 P -","- C312 H136 Au8 F120 P8 -","8","2","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0572","0.0433","","","0.0952","0.1021","","","","","","1.067","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122573","11.505","0.002","19.578","0.004","17.558","0.004","90","","90.019","0.005","90","","3954.8","1.4","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Ru2 Si2 Sn -","- C42 H58 Ru2 Si2 Sn -","- C168 H232 Ru8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0765","0.056","","","0.1011","0.1086","","","","","","1.107","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122574","10.7817","0.001","17.318","0.0016","24.015","0.002","90","","100.853","0.002","90","","4403.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Ru2 Si2 Sn -","- C48 H70 Ru2 Si2 Sn -","- C192 H280 Ru8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0734","0.0463","","","0.0922","0.1079","","","","","","1.009","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122575","12.7833","0.0015","14.3558","0.0017","15.1393","0.0018","97.677","0.003","96.928","0.002","93.321","0.003","2725.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H87 Li O4 Ru Si2 Sn -","- C54 H87 Li O4 Ru Si2 Sn -","- C108 H174 Li2 O8 Ru2 Si4 Sn2 -","2","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0702","0.0496","","","0.099","0.109","","","","","","1.015","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122576","13.0864","0.0001","19.3897","0.0002","14.4296","0.0001","90","","96.126","0.001","90","","3640.48","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 Mn N6 O8 S2 -","- C31 H31 F6 Mn N6 O8 S2 -","- C124 H124 F24 Mn4 N24 O32 S8 -","4","1","","Yu, Meng; Ambrose, Stephen L.; Whaley, Zachary L.; Fan, Sanjun; Gorden, John D.; Beyers, Ronald J.; Schwartz, Dean D.; Goldsmith, Christian R.","A mononuclear manganese(II) complex demonstrates a strategy to simultaneously image and treat oxidative stress.","Journal of the American Chemical Society","2014","136","37","12836","12839","10.1021/ja507034d","","","1.54178","CuKα","","0.1232","0.1098","","","0.303","0.3183","","","","","","1.064","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122577","16.6834","0.0013","11.028","0.0008","11.9668","0.0009","90","","99.219","0.007","90","","2173.3","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Fe2 O4 P2 S2 -","- C14 H26 Fe2 O4 P2 S2 -","- C56 H104 Fe8 O16 P8 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0979","0.0897","","","0.2961","0.3005","","","","","","1.266","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122578","16.784","0.0007","11.0945","0.0005","12.5523","0.0008","90","","104.937","0.007","90","","2258.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Fe2 O4 P2 S2 -","- C16 H30 Fe2 O4 P2 S2 -","- C64 H120 Fe8 O16 P8 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0614","0.0362","","","0.0712","0.0748","","","","","","1.051","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122579","12.09","0.002","13.027","0.002","16.282","0.003","90","","90","","90","","2564.4","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Fe2 O4 P2 S2 -","- C19 H36 Fe2 O4 P2 S2 -","- C76 H144 Fe8 O16 P8 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.027","0.0258","","","0.0532","0.0538","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122580","20.79","0.02","8.4769","0.001","13.848","0.016","90","","106.854","0.019","90","","2336","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 F6 Fe2 O5 P3 S2 -","- C12 H23 F6 Fe2 O5 P3 S2 -","- C48 H92 F24 Fe8 O20 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0918","0.0618","","","0.1342","0.1518","","","","","","0.983","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122581","19.5329","0.0003","10.2433","0.0002","13.0247","0.0002","90","","106.752","0.002","90","","2495.4","0.08","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 F6 Fe2 O4 P3 S2 -","- C14 H27 F6 Fe2 O4 P3 S2 -","- C56 H108 F24 Fe8 O16 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0242","0.0223","","","0.0535","0.0542","","","","","","1.137","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122582","18.7466","0.0009","11.1267","0.0005","25.7195","0.0018","90","","99.892","0.007","90","","5285","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 F6 Fe2 O4 P3 S2 -","- C16 H31 F6 Fe2 O4 P3 S2 -","- C128 H248 F48 Fe16 O32 P24 S16 -","8","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0928","0.0473","","","0.0904","0.1004","","","","","","0.917","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122583","19.689","0.018","10.202","0.008","12.987","0.012","90","","104.65","0.02","90","","2524","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H29 F6 Fe2 O4 P3 S2 -","- C15 H29 F6 Fe2 O4 P3 S2 -","- C60 H116 F24 Fe8 O16 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0622","0.0635","","","","","","1.077","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122584","8.778","0.0003","9.8893","0.0005","16.9341","0.0006","90","","90","","90","","1470.02","0.1","140","2","140","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 Fe2 O6 S2 -","- C10 H8 Fe2 O6 S2 -","- C40 H32 Fe8 O24 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0583","0.0432","","","0.0859","0.0904","","","","","","1.113","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122585","9.1168","0.0001","9.6581","0.0001","9.8273","0.0001","74.585","0.003","75.109","0.003","89.144","0.004","804.84","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Fe2 O6 S2 -","- C12 H12 Fe2 O6 S2 -","- C24 H24 Fe4 O12 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0213","0.0208","","","0.058","0.0583","","","","","","1.138","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122586","7.792","0.002","11.571","0.003","11.826","0.002","116.222","0.013","101.17","0.017","95.179","0.018","919.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Fe2 O6 S2 -","- C15 H18 Fe2 O6 S2 -","- C30 H36 Fe4 O12 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0276","0.0246","","","0.0552","0.0564","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122587","8.4937","0.0005","9.4901","0.0005","11.7656","0.0006","101.03","0.004","104.003","0.005","113.074","0.005","801.9","0.09","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 Fe2 O5 P S2 -","- C10 H13 Fe2 O5 P S2 -","- C20 H26 Fe4 O10 P2 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0905","0.0567","","","0.0856","0.0935","","","","","","1.022","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122588","7.4894","0.0006","9.0289","0.0008","14.741","0.0013","88.6","0.006","78.742","0.006","83.721","0.006","971.75","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Fe2 O5 P S2 -","- C14 H21 Fe2 O5 P S2 -","- C28 H42 Fe4 O10 P2 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.032","0.0267","","","0.0605","0.0621","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122589","12.6554","0.0004","7.6882","0.0002","26.4703","0.0018","90","","97.944","0.007","90","","2550.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F6 Fe2 O4 P3 S2 -","- C16 H23 F6 Fe2 O4 P3 S2 -","- C64 H92 F24 Fe8 O16 P12 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0408","0.0291","","","0.0632","0.0674","","","","","","1.039","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122590","8.1039","0.0003","19.8611","0.0006","14.8094","0.0005","90","","119.708","0.002","90","","2070.31","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Cl3 O2 -","- C27 H15 Cl3 O2 -","- C108 H60 Cl12 O8 -","4","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","0.71073","MoKα","","0.0442","0.0364","","","0.0921","0.0982","","","","","","1.041","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122591","9.8979","0.0012","16.1975","0.0017","21.268","0.002","90","","90","","90","","3409.7","0.6","100","","100.01","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C208 H128 O16 -","8","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","1.54178","CuKα","","0.0938","0.085","","","0.2329","0.2393","","","","","","1.068","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122592","12.0612","0.0016","14.318","0.002","18.484","0.002","101.875","0.003","97.825","0.002","111.173","0.003","2834.3","0.6","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","spiro[2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethyl-bicyclo[4.1.0]heptasil-1(6)- ene-7,1'-2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethylcyclopentasilane]","","- C40 H96 Si11 -","- C40 H96 Si11 -","- C80 H192 Si22 -","2","1","","Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro","Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.","Journal of the American Chemical Society","2014","136","37","12896","12898","10.1021/ja507279z","","","0.7107","MoKα","","0.0488","0.0443","","","0.1176","0.1355","","","","","","1.137","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122593","9.1903","0.0005","21.5113","0.0011","16.6086","0.001","90","","96.652","0.0008","90","","3261.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetra-tert-butyl-2,2,3,3-tetrachloro-5,5,6,6-tetramethylcyclohexasilane","","- C20 H48 Cl4 Si6 -","- C20 H48 Cl4 Si6 -","- C80 H192 Cl16 Si24 -","4","1","","Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro","Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.","Journal of the American Chemical Society","2014","136","37","12896","12898","10.1021/ja507279z","","","0.7107","MoKα","","0.0444","0.0425","","","0.0813","0.0826","","","","","","1.28","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122594","35.324","0.017","35.324","0.017","35.324","0.017","90","","90","","90","","44077","4","100","2","100","","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 O41.85 S2.4 Zr6 -","- C18 H6 O41.85 S2.4 Zr6 -","- C288 H96 O669.6 S38.4 Zr96 -","16","","","Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao; Na, Kyungsu; Yaghi, Omar M.; Klemperer, Walter G.","Superacidity in sulfated metal-organic framework-808.","Journal of the American Chemical Society","2014","136","37","12844","12847","10.1021/ja507119n","","","0.7749","","","0.0763","0.0512","","","0.1501","0.1662","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122595","5.2357","0.0006","45.397","0.005","11.9994","0.0013","90","","94.399","0.006","90","","2843.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H31 N O7 -","- C34 H31 N O7 -","- C136 H124 N4 O28 -","4","2","","Wasa, Masayuki; Liu, Richard Y.; Roche, Stéphane P; Jacobsen, Eric N.","Asymmetric Mannich synthesis of α-amino esters by anion-binding catalysis.","Journal of the American Chemical Society","2014","136","37","12872","12875","10.1021/ja5075163","","","1.54178","CuKα","","0.0328","0.0317","","","0.0763","0.0772","","","","","","1.045","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122596","13.9089","0.0017","14.6451","0.0018","29.827","0.004","82.953","0.002","78.017","0.002","66.121","0.001","5429.5","1.2","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C111 H116 Au7 B3 F12 O3 P8 -","- C111 H116 Au7 B3 F12 O3 P8 -","- C222 H232 Au14 B6 F24 O6 P16 -","2","1","","Shichibu, Yukatsu; Zhang, Mingzhe; Kamei, Yutaro; Konishi, Katsuaki","[Au7](3+): a missing link in the four-electron gold cluster family.","Journal of the American Chemical Society","2014","136","37","12892","12895","10.1021/ja508005x","","","0.71073","MoKα","","0.1311","0.0627","","","0.1593","0.2062","","","","","","0.96","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122598","10.8664","0.0002","17.5792","0.0003","17.7365","0.0003","90","","90","","90","","3388.07","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 Co P2 Si2 -","- C34 H46 Co P2 Si2 -","- C136 H184 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0747","0.0735","","","0.2211","0.2221","","","","","","1.092","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122599","14.892","0.004","10.862","0.003","15.727","0.004","90","","95.056","0.005","90","","2534.1","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H46 Co P2 Si2 -","- C18 H46 Co P2 Si2 -","- C72 H184 Co4 P8 Si8 -","4","0.5","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0811","0.0523","","","0.1355","0.1552","","","","","","1.036","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122600","16.251","0.0014","10.3659","0.0009","12.8209","0.0011","90","","92.811","0.002","90","","2157.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 Co P2 Si2 -","- C14 H38 Co P2 Si2 -","- C56 H152 Co4 P8 Si8 -","4","0.5","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0234","0.0206","","","0.0589","0.0729","","","","","","1.228","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122601","20.3936","0.0005","11.7894","0.0003","19.1693","0.0005","90","","116.206","0.002","90","","4135.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Co P2 Si2 -","- C43 H58 Co P2 Si2 -","- C172 H232 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0517","0.0421","","","0.1063","0.1126","","","","","","1.022","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122602","9.9345","0.001","9.0704","0.0009","18.5496","0.0018","90","","95.247","0.002","90","","1664.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Co P2 -","- C34 H36 Co P2 -","- C68 H72 Co2 P4 -","2","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0602","0.0495","","","0.1474","0.1565","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122603","20.1817","0.0004","39.2294","0.001","29.3154","0.0007","90","","93.412","0.002","90","","23168.3","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C115 H101 Eu F9 N9 O21 S3 -","- C115 H101 Eu F9 N9 O21 S3 -","- C920 H808 Eu8 F72 N72 O168 S24 -","8","2","","Ayme, Jean-François; Gil-Ramírez, Guzmán; Leigh, David A.; Lemonnier, Jean-François; Markevicius, Augustinas; Muryn, Christopher A.; Zhang, Gen","Lanthanide template synthesis of a molecular trefoil knot.","Journal of the American Chemical Society","2014","136","38","13142","13145","10.1021/ja506886p","","","0.71073","MoKα","","0.231","0.1069","","","0.2713","0.36","","","","","","1.019","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122604","9.5404","0.0007","11.9679","0.001","18.6011","0.0011","90","","120.857","0.003","90","","1823.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 P3 -","- C15 H29 P3 -","- C60 H116 P12 -","4","1","","Longobardi, Lauren E.; Russell, Christopher A.; Green, Michael; Townsend, Nell S.; Wang, Kun; Holmes, Arthur J.; Duckett, Simon B.; McGrady, John E.; Stephan, Douglas W.","Hydrogen activation by an aromatic triphosphabenzene.","Journal of the American Chemical Society","2014","136","38","13453","13457","10.1021/ja5077525","","","0.71073","MoKα","","0.1031","0.0655","","","0.1662","0.1896","","","","","","1.026","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122605","15.2213","0.0017","18.6643","0.0019","16.9332","0.0019","90","","93.967","0.002","90","","4799.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H57 B Fe N7 P -","- C55 H57 B Fe N7 P -","- C220 H228 B4 Fe4 N28 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0997","0.0509","","","0.1079","0.1286","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4122606","13.4351","0.0005","17.1822","0.0006","21.9969","0.0008","90","","98.822","0.002","90","","5017.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 B Fe N7 O P -","- C54 H65 B Fe N7 O P -","- C216 H260 B4 Fe4 N28 O4 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.1073","0.0574","","","0.1122","0.128","","","","","","1.012","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122607","13.5728","0.0006","17.4335","0.0008","22.004","0.001","90","","99.14","0.002","90","","5140.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H67 B Fe N7 P -","- C55 H67 B Fe N7 P -","- C220 H268 B4 Fe4 N28 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0706","0.0487","","","0.1243","0.1379","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4122608","29.0822","0.0011","29.0822","0.0011","32.064","0.0015","90","","90","","120","","23485.7","1.7","100","2","100","2","","","","","","","","6","R -3","-R 3","148","HJL-PMe3-B1Z1","","","- C45 H53 B Fe N7 P -","- C45 H53 B Fe N7 P -","- C810 H954 B18 Fe18 N126 P18 -","18","","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.096","0.0661","","","0.167","0.1807","","","","","","1.086","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122609","16.4633","0.0007","53.391","0.002","16.162","0.0008","90","","90","","90","","14206.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H65 B Fe N7 P -","- C51 H65 B Fe N7 P -","- C612 H780 B12 Fe12 N84 P12 -","12","3","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0933","0.0645","","","0.1464","0.185","","","","","","1.024","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4122610","22.4029","0.0006","13.1509","0.0004","41.043","0.0011","90","","90.453","0.0014","90","","12091.6","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DSA40","","","- C65.5 H62 B F9 Fe N7 P -","- C65.5 H62 B F9 Fe N7 P -","- C524 H496 B8 F72 Fe8 N56 P8 -","8","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0574","0.0472","","","0.12","0.1275","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122611","9.1763","0.0003","9.5392","0.0003","17.2775","0.0007","90","","90","","90","","1512.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Br N O -","- C16 H26 Br N O -","- C64 H104 Br4 N4 O4 -","4","1","","Lee, Amy S.; Liau, Brian B.; Shair, Matthew D.","A unified strategy for the synthesis of 7-membered-ring-containing Lycopodium alkaloids.","Journal of the American Chemical Society","2014","136","38","13442","13452","10.1021/ja507740u","","","1.54178","CuKα","","0.0159","0.0159","","","0.0428","0.0428","","","","","","1.086","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122612","17.864","0.003","25.801","0.005","26.912","0.005","90","","91.809","0.003","90","","12398","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C129 H112 Au11 Cl4 P7 -","- C129 H106 Au11 Cl4 P7 -","- C516 H424 Au44 Cl16 P28 -","4","1","","McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.","Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.","Journal of the American Chemical Society","2014","136","38","13426","13435","10.1021/ja5075689","","","0.7749","synchrotron","","0.0573","0.0347","","","0.0822","0.0935","","","","","","1.069","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122613","22.5421","0.0015","18.0509","0.0012","34.593","0.002","90","","96.067","0.001","90","","13997.2","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C154 H148 Au11 Cl7 O4 P8 -","- C144 H120 Au11 Cl2 P8 -","- C576 H480 Au44 Cl8 P32 -","4","1","","McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.","Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.","Journal of the American Chemical Society","2014","136","38","13426","13435","10.1021/ja5075689","","","0.71073","MoKα","","0.0886","0.0484","","","0.1045","0.1144","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122614","12.8592","0.0008","16.5264","0.001","16.6726","0.001","90","","92.482","0.003","90","","3539.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Compound 24","","- C41 H56 N2 Ni -","- C41 H56 N2 Ni -","- C164 H224 N8 Ni4 -","4","1","","Bair, Joseph S.; Schramm, York; Sergeev, Alexey G.; Clot, Eric; Eisenstein, Odile; Hartwig, John F.","Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes.","Journal of the American Chemical Society","2014","136","38","13098","13101","10.1021/ja505579f","","","0.71073","MoKα","","0.0399","0.0309","","","0.0661","0.0704","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122615","32.6205","0.0016","32.6205","0.0016","32.6205","0.0016","90","","90","","90","","34711","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C120 H76 O32 Zr6 -","- C120 H72 O32 Zr6 -","- C480 H288 O128 Zr24 -","4","0.0208333","","Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin","Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.","Journal of the American Chemical Society","2014","136","38","13182","13185","10.1021/ja507947d","","","0.41328","","","0.0809","0.0771","","","0.2168","0.223","","","","","","2.033","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122616","12.5283","0.001","15.1652","0.0013","16.1665","0.0014","90","","97.5071","0.0017","90","","3045.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cl4 Fe4 N4 O7 -","- C64 H56 Cl4 Fe4 N4 O7 -","- C128 H112 Cl8 Fe8 N8 O14 -","2","0.5","","Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin","Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.","Journal of the American Chemical Society","2014","136","38","13182","13185","10.1021/ja507947d","","","0.41328","","","0.1081","0.0873","","","0.2982","0.3052","","","","","","2.079","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122617","6.0917","0.0003","28.7804","0.0014","8.886","0.0004","90","","91.852","0.002","90","","1557.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDBE)[PbBr4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrabromoplumbate","","- C6 H18 Br4 N2 O2 Pb -","- C6 H18 Br4 N2 O2 Pb -","- C24 H72 Br16 N8 O8 Pb4 -","4","1","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0246","0.0234","","","0.0623","0.0638","","","","","","1.085","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122618","6.494","0.0005","29.461","0.002","9.2666","0.0007","90","","91.777","0.002","90","","1772","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDBE)[PbI4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetraiodoplumbate","","- C6 H18 I4 N2 O2 Pb -","- C6 H18 I4 N2 O2 Pb -","- C24 H72 I16 N8 O8 Pb4 -","4","1","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0173","0.0163","","","0.0415","0.0425","","","","","","1.002","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122619","7.7316","0.001","7.5418","0.001","13.2928","0.0018","90","","102.481","0.004","90","","756.79","0.17","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","(EDBE)[PbCl4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrachloroplumbate","","- C6 H18 Cl4 N2 O2 Pb -","- C6 H18 Cl4 N2 O2 Pb -","- C12 H36 Cl8 N4 O4 Pb2 -","2","0.5","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0285","0.0285","","","0.0786","0.0786","","","","","","1.155","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122620","4.8784","0.0008","10.6424","0.0017","15.881","0.003","99.955","0.002","96.953","0.002","90.633","0.002","805.7","0.2","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H12 Cl2 F3 N O5 -","- C14 H12 Cl2 F3 N O5 -","- C28 H24 Cl4 F6 N2 O10 -","2","2","","Lu, Deng-Fu; Zhu, Cheng-Liang; Jia, Zhen-Xin; Xu, Hao","Iron(II)-catalyzed intermolecular amino-oxygenation of olefins through the N-O bond cleavage of functionalized hydroxylamines.","Journal of the American Chemical Society","2014","136","38","13186","13189","10.1021/ja508057u","","","0.71073","MoKα","","0.0563","0.0495","","","0.1187","0.1238","","","","","","1.041","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122621","11.9963","0.0005","13.7328","0.0004","21.8345","0.0008","90.837","0.002","98.991","0.002","110.539","0.002","3317.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1_[(CyPBP)CoH]2","","","- C70 H112 B2 Co2 N4 P4 -","- C70 H112 B2 Co2 N4 P4 -","- C140 H224 B4 Co4 N8 P8 -","2","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0431","0.0338","","","0.0891","0.095","","","","","","1.003","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122622","13.5896","0.0008","23.6347","0.0014","24.0614","0.0015","81.261","0.001","80.57","0.002","75.633","0.002","7335.1","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2_[(CyPBP)CoH]2[PF6]","","","- C276 H470 B8 Co8 F24 N16 O5 P20 -","- C276 H470 B8 Co8 F24 N16 O5 P20 -","- C276 H470 B8 Co8 F24 N16 O5 P20 -","1","0.5","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1021","0.0529","","","0.113","0.1315","","","","","","1.016","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122623","13.0122","0.0005","14.2187","0.0006","18.003","0.0007","97.033","0.002","108.039","0.002","115.166","0.002","2738.7","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","3_[(PhPBP)Ni]","","","- C64 H56 B2 N4 Ni2 P4 -","- C64 H56 B2 N4 Ni2 P4 -","- C128 H112 B4 N8 Ni4 P8 -","2","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.057","0.0409","","","0.0772","0.0933","","","","","","1.001","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122624","11.6572","0.0004","14.3769","0.0005","31.9983","0.0012","90","","90","","90","","5362.7","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","5_(tBuPBP)NiCl","","","- C24 H44 B Cl N2 Ni P2 -","- C24 H44 B Cl N2 Ni P2 -","- C192 H352 B8 Cl8 N16 Ni8 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0302","0.0276","","","0.0721","0.0739","","","","","","1.006","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122625","12.502","0.002","15.269","0.004","17.419","0.004","102.463","0.006","107.648","0.008","90.012","0.007","3086.3","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6_(tBuPBP)NiOTf","","","- C25 H44 B F3 N2 Ni O3 P2 S -","- C25 H44 B F3 N2 Ni O3 P2 S -","- C100 H176 B4 F12 N8 Ni4 O12 P8 S4 -","4","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0536","0.0464","","","0.1133","0.1188","","","","","","1.032","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122626","11.9309","0.0017","15.669","0.002","29.546","0.004","90","","99.204","0.008","90","","5452.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7_(tBuPBP)NiH","","","- C24 H45 B N2 Ni P2 -","- C24 H45 B N2 Ni P2 -","- C192 H360 B8 N16 Ni8 P16 -","8","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.065","0.0411","","","0.0941","0.1047","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122627","12.0755","0.0018","14.717","0.002","31.911","0.004","90","","90","","90","","5671.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","8_(tBuPBP)NiOC(H)O","","","- C25 H45 B N2 Ni O2 P2 -","- C25 H45 B N2 Ni O2 P2 -","- C200 H360 B8 N16 Ni8 O16 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1114","0.054","","","0.0991","0.1189","","","","","","1.021","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122628","7.9038","0.0006","9.2715","0.0007","9.2904","0.0007","61.644","0.001","72.462","0.001","82.794","0.001","571.14","0.08","113","2","113","2","","","","","","","","5","P -1","-P 1","2","K2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)3","","","- C12 H16 K2 O19 Zn2 -","- C12 K2 O19 Zn2 -","- C12 K2 O19 Zn2 -","1","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi","Proton conductivity control by ion substitution in a highly proton-conductive metal-organic framework.","Journal of the American Chemical Society","2014","136","38","13166","13169","10.1021/ja507634v","","","0.71073","MoKα","","0.0255","0.0251","","","0.0759","0.0761","","","","","","1.091","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122629","6.5138","0.0001","8.157","0.0001","25.3751","0.0017","90","","90","","90","","1348.26","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54187","CuKα","","","0.056","","","","0.1707","","","","","","1.092","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122630","5.9752","0.0002","13.963","0.0004","17.2188","0.0012","90","","90","","90","","1436.59","0.12","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54178","CuKα","","0.0689","0.0589","","","0.1376","0.1605","","","","","","1.179","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122631","13.8412","0.0019","17.037","0.002","20.983","0.003","90","","98.441","0.007","90","","4894.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Fe2 N2 O P4 Si2 -","- C48 H74 Fe2 N2 O P4 Si2 -","- C192 H296 Fe8 N8 O4 P16 Si8 -","4","1","","Rittle, Jonathan; McCrory, Charles C. L.; Peters, Jonas C.","A 10(6)-Fold Enhancement in N2-Binding Affinity of an Fe2(μ-H)2 Core upon Reduction to a Mixed-Valence Fe(II)Fe(I) State.","Journal of the American Chemical Society","2014","136","39","13853","13862","10.1021/ja507217v","","","0.71073","MoKα","","0.06","0.0345","","","0.074","0.0846","","","","","","1.022","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122632","14.5593","0.001","14.5601","0.001","21.2237","0.0014","94.695","0.002","90.478","0.002","119.603","0.002","3892.5","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H120.99 Fe2 N4 Na O10.5 P4 Si2 -","- C69.996 H120.99 Fe2 N4 Na O10.499 P4 Si2 -","- C139.992 H241.98 Fe4 N8 Na2 O20.998 P8 Si4 -","2","1","","Rittle, Jonathan; McCrory, Charles C. L.; Peters, Jonas C.","A 10(6)-Fold Enhancement in N2-Binding Affinity of an Fe2(μ-H)2 Core upon Reduction to a Mixed-Valence Fe(II)Fe(I) State.","Journal of the American Chemical Society","2014","136","39","13853","13862","10.1021/ja507217v","","","0.71073","MoKα","","0.0813","0.0487","","","0.1117","0.1279","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122633","13.6471","0.0002","15.0512","0.0003","16.2264","0.0003","90","","99.0936","0.0009","90","","3291.1","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 Ni2 -","- C34 H60 Ni2 -","- C136 H240 Ni8 -","4","1","","Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","An ""Intermediate Spin"" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding.","Journal of the American Chemical Society","2014","136","39","13538","13541","10.1021/ja507342a","","","1.54178","CuKα","","0.0353","0.033","","","0.09","0.0922","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122634","12.5016","0.0003","18.0745","0.0004","20.0716","0.0005","72.074","0.001","88.776","0.001","84.763","0.001","4297.09","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp'2Ni2Br2","","","- C34 H58 Br2 Ni2 -","- C34 H58 Br1.996 Ni2 -","- C170 H290 Br9.98 Ni10 -","5","2.5","","Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","An ""Intermediate Spin"" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding.","Journal of the American Chemical Society","2014","136","39","13538","13541","10.1021/ja507342a","","","0.71073","MoKα","","0.0804","0.035","","","0.0633","0.0689","","","","","","0.772","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122635","8.2681","0.0008","10.2507","0.001","10.4202","0.001","93.553","0.003","100.268","0.003","102.858","0.003","842.45","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 Au Cl N2 O2 S -","- C15 H20 Au Cl N2 O2 S -","- C30 H40 Au2 Cl2 N4 O4 S2 -","2","1","","Hu, Xingbang; Martin, David; Melaimi, Mohand; Bertrand, Guy","Gold-catalyzed hydroarylation of alkenes with dialkylanilines.","Journal of the American Chemical Society","2014","136","39","13594","13597","10.1021/ja507788r","","x-ray","0.71073","MoKα","","0.0484","0.0416","","","0.1096","0.1127","","","","","","1.106","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122636","9.19","0.0004","12.5091","0.0005","14.6497","0.0005","90","","106.992","0.001","90","","1610.59","0.11","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Au Cl N2 -","- C16 H22 Au Cl N2 -","- C64 H88 Au4 Cl4 N8 -","4","1","","Hu, Xingbang; Martin, David; Melaimi, Mohand; Bertrand, Guy","Gold-catalyzed hydroarylation of alkenes with dialkylanilines.","Journal of the American Chemical Society","2014","136","39","13594","13597","10.1021/ja507788r","","x-ray","0.71073","MoKα","","0.029","0.0229","","","0.0513","0.0534","","","","","","1.055","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122637","18.728","0.007","11.899","0.005","9.571","0.004","90","","90.329","0.005","90","","2132.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C108 H120 N8 O4 -","4","1","","Deb, Arghya; Bag, Sukdev; Kancherla, Rajesh; Maiti, Debabrata","Palladium-catalyzed aryl C-h olefination with unactivated, aliphatic alkenes.","Journal of the American Chemical Society","2014","136","39","13602","13605","10.1021/ja5082734","","","0.71075","MoKα","","0.165","0.0903","","","0.2061","0.3157","","","","","","0.721","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122638","8.011","0.004","12.635","0.006","13.614","0.006","63.932","0.018","75.04","0.03","81.88","0.03","1195.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O3 -","- C29 H30 N2 O3 -","- C58 H60 N4 O6 -","2","1","","Deb, Arghya; Bag, Sukdev; Kancherla, Rajesh; Maiti, Debabrata","Palladium-catalyzed aryl C-h olefination with unactivated, aliphatic alkenes.","Journal of the American Chemical Society","2014","136","39","13602","13605","10.1021/ja5082734","","","0.71075","MoKα","","0.1787","0.1054","","","0.2345","0.3014","","","","","","0.898","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122639","8.7109","0.0002","18.371","0.0003","13.1898","0.0002","90","","122.659","0.001","90","","1777.02","0.06","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B Cu F4 N O -","- C18 H17 B Cu F4 N O -","- C72 H68 B4 Cu4 F16 N4 O4 -","4","1","","Yoshida, Suguru; Hatakeyama, Yasutomo; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Transient Protection of Strained Alkynes from Click Reaction via Complexation with Copper.","Journal of the American Chemical Society","2014","136","39","13590","13593","10.1021/ja507660x","","","1.54186","CuKα","","0.0413","0.0369","","","0.0976","0.1023","","","","","","1.091","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122640","8.3108","0.0009","6.1042","0.0007","11.6311","0.0013","90","","108.656","0.002","90","","559.05","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl P -","- C14 H10 Cl P -","- C28 H20 Cl2 P2 -","2","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0299","0.0286","","","0.0765","0.0773","","","","","","1.064","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122641","10.5027","0.001","21.598","0.002","14.9821","0.0014","90","","104.9","0.002","90","","3284.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H23 Al2 Cl8 P2 -","- C29.5 H22 Al Cl8 P2 -","- C118 H88 Al4 Cl32 P8 -","4","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.1064","0.0856","","","0.2156","0.2251","","","","","","1.197","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122642","15.716","0.003","19.409","0.004","20.207","0.004","90","","90","","90","","6164","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H25 B F4 Mo O3 P2 -","- C36 H25 B F4 Mo O3 P2 -","- C288 H200 B8 F32 Mo8 O24 P16 -","8","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0377","0.0335","","","0.087","0.0902","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122644","6.7094","0.0015","15.687","0.004","19.052","0.004","90","","90","","90","","2005.2","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl2 N O3 -","- C21 H18 Br Cl2 N O3 -","- C84 H72 Br4 Cl8 N4 O12 -","4","1","","Zhu, Yunbo; Zhang, Long; Luo, Sanzhong","Asymmetric α-Photoalkylation of β-Ketocarbonyls by Primary Amine Catalysis: Facile Access to Acyclic All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2014","136","42","14642","14645","10.1021/ja508605a","","","0.71073","MoKα","","0.0346","0.0332","","","0.0785","0.0796","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122645","17.888","0.003","9.4477","0.0014","18.022","0.003","90","","90","","90","","3045.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C112 H168 N8 O16 S8 -","8","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0491","0.0407","","","0.1119","0.1205","","","","","","0.939","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122646","7.7421","0.0018","21.21","0.005","7.4082","0.0017","90","","98.222","0.002","90","","1204","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.065","0.0417","","","0.1016","0.1136","","","","","","1.025","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122647","6.5204","0.0011","26.602","0.004","7.9704","0.0013","90","","101.144","0.002","90","","1356.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C52 H76 N4 O8 S4 -","4","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0632","0.0535","","","0.1223","0.1285","","","","","","1.004","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122648","12.0434","0.0003","16.6809","0.0003","19.6812","0.0004","90","","105.521","0.002","90","","3809.66","0.15","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 F5 Fe N6 O8 -","- C37 H28 Cl2 F5 Fe N6 O8 -","- C148 H112 Cl8 F20 Fe4 N24 O32 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0449","0.0375","","","0.0946","0.0994","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122649","11.468","0.0003","13.2371","0.0004","14.0375","0.0004","107.298","0.002","90.325","0.002","115.477","0.003","1814.52","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 Cl2 F3 Fe N6 O9 -","- C37 H28 Cl2 F3 Fe N6 O9 -","- C74 H56 Cl4 F6 Fe2 N12 O18 -","2","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0812","0.0724","","","0.2086","0.2158","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122650","11.75412","0.00016","16.2865","0.0002","19.2739","0.0003","90","","99.2246","0.0013","90","","3641.95","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 F4 Fe N6 O8 -","- C37 H28 Cl2 F4 Fe N6 O8 -","- C148 H112 Cl8 F16 Fe4 N24 O32 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","0.71073","MoKα","","0.0386","0.0317","","","0.0815","0.0846","","","","","","1.051","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122651","10.4244","0.0007","31.64","0.002","12.6878","0.0008","90","","107.884","0.003","90","","3982.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cp*(IXy)(H)2RuSnTrip","","- C44 H60 N2 Ru Sn -","- C44 H58 N2 Ru Sn -","- C176 H232 N8 Ru4 Sn4 -","4","1","","Liu, Hsueh-Ju; Guihaumé, Julie; Davin, Thomas; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","1,2-Hydrogen Migration to a Saturated Ruthenium Complex via Reversal of Electronic Properties for Tin in a Stannylene-to-Metallostannylene Conversion.","Journal of the American Chemical Society","2014","136","40","13991","","10.1021/ja507799e","","","0.71073","MoKα","","0.0955","0.0867","","","0.2038","0.2073","","","","","","1.235","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122652","6.1781","0.0011","35.439","0.006","15.264","0.003","90","","100.518","0.003","90","","3285.8","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H74 N12 O14 S4 -","- C59 H74 N12 O14 S4 -","- C118 H148 N24 O28 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1243","0.094","","","0.2297","0.2395","","","","","","1.135","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122653","6.001","0.003","35.559","0.015","15.223","0.006","90","","101.047","0.004","90","","3188","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H74 N12 O20 S4 -","- C50 H74 N12 O20 S4 -","- C100 H148 N24 O40 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.217","0.1344","","","0.3043","0.3409","","","","","","1.138","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122654","16.068","0.004","18.326","0.004","35.252","0.008","80.336","0.003","85.481","0.003","77.775","0.003","9991","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82.18 N12 O22.17 S4 -","- C54.0047 H82.176 N12 O22.1617 S3.99833 -","- C324.028 H493.056 N72 O132.97 S23.99 -","6","6","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1709","0.1099","","","0.2799","0.3016","","","","","","1.129","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122655","16.049","0.004","18.303","0.004","35.233","0.008","80.303","0.003","85.43","0.003","77.818","0.003","9961","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82.18 N12 O22.17 S4 -","- C34 H43.3333 N12 O11.8643 S4 -","- C204 H260 N72 O71.186 S24 -","6","3","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1676","0.1339","","","0.3601","0.3856","","","","","","1.261","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122656","12.043","0.005","15.891","0.006","34.087","0.013","84.671","0.005","87.393","0.005","83.725","0.004","6452","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82 N12 O17 S4 -","- C54 H82 N12 O17 S4 -","- C216 H328 N48 O68 S16 -","4","4","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.2252","0.1405","","","0.3221","0.3487","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122657","21.66","0.002","5.489","0.0007","16.9869","0.0018","90","","113.084","0.006","90","","1857.9","0.4","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.1176","0.0678","","","0.1835","0.2309","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122658","14.199","0.005","5.526","0.005","18.342","0.005","90","0.005","93.478","0.005","90","0.005","1436.5","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.0682","0.0409","","","0.111","0.1448","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122659","37.246","0.0007","38.9864","0.0006","13.6966","0.0003","90","","90","","90","","19888.7","0.7","100.15","","100.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C92 H164 Cu4 O6 S6 Sm4 -","- C92 H164 Cu4 O6 S6 Sm4 -","- C736 H1312 Cu32 O48 S48 Sm32 -","8","0.5","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0417","0.0375","","","0.0911","0.093","","","","","","1.009","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122660","18.1249","0.0004","25.8707","0.0004","20.4267","0.0004","90","","95.652","0.002","90","","9531.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H137 As3 O4 S7 Sm4 -","- C86 H137 As3 O4 S7 Sm4 -","- C344 H548 As12 O16 S28 Sm16 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0335","0.0285","","","0.0654","0.0677","","","","","","1.045","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122661","13.009","0.003","13.399","0.003","19.68","0.004","85.64","0.03","87.33","0.03","69.09","0.03","3194.5","1.4","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 As3 O3 S6 Yb3 -","- C52 H84 As3 O3 S6 Yb3 -","- C104 H168 As6 O6 S12 Yb6 -","2","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0843","0.0682","","","0.1675","0.1776","","","","","","1.028","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122662","14.0987","0.0005","28.9735","0.0014","16.6015","0.0006","90","","112.253","0.003","90","","6276.4","0.5","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H95 As2 O S6 Sm3 -","- C55 H95 As2 O S6 Sm3 -","- C220 H380 As8 O4 S24 Sm12 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0632","0.03","","","0.0435","0.0499","","","","","","0.808","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122663","8.5385","0.0003","11.9152","0.0005","19.7595","0.001","93.682","0.004","90.745","0.004","108.932","0.003","1896.4","0.15","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 As2 S6 Yb3 -","- C30 H45 As2 S6 Yb3 -","- C60 H90 As4 S12 Yb6 -","2","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0685","0.0491","","","0.1177","0.1301","","","","","","0.956","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122664","23.933","0.005","15.656","0.003","27.292","0.006","90","","102.18","0.03","90","","9996","4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H129 As3 O3 S7 Sm4 -","- C82 H129 As3 O3 S7 Sm4 -","- C328 H516 As12 O12 S28 Sm16 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0731","0.0397","","","0.0571","0.0628","","","","","","0.893","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122665","6.7753","0.0003","9.7463","0.0004","10.5571","0.0005","90","","93.5333","0.0006","90","","695.8","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C32 H32 Br2 N2 O2 -","2","1","","Li, Ling; Zhao, Shibin; Joshi-Pangu, Amruta; Diane, Mohamed; Biscoe, Mark R.","Stereospecific Pd-Catalyzed Cross-Coupling Reactions of Secondary Alkylboron Nucleophiles and Aryl Chlorides.","Journal of the American Chemical Society","2014","136","40","14027","","10.1021/ja508815w","","","0.71073","MoKα","","0.0212","0.0209","","","0.0527","0.0529","","","","","","1.067","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122666","12.6369","0.0018","16.656","0.002","10.926","0.0017","90","","96.734","0.004","90","","2283.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.1235","0.0605","","","0.1448","0.1727","","","","","","1.078","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122667","9.8402","0.0004","8.4762","0.0004","28.5374","0.0012","90","","92.7937","0.0012","90","","2377.4","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N Si -","- C30 H29 N Si -","- C120 H116 N4 Si4 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0421","0.0348","","","0.0878","0.0926","","","","","","1.06","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122668","17.8165","0.0011","18.3144","0.0011","23.5832","0.0017","90","","90","","90","","7695.2","0.9","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H44.35 B F4 N O2.18 Si -","- C45 H44 B F4 N O2.178 Si -","- C360 H352 B8 F32 N8 O17.424 Si8 -","8","2","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0696","0.0459","","","0.1004","0.1105","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122669","10.0798","0.0004","10.0798","0.0004","31.705","0.002","90","","90","","120","","2789.7","0.2","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C46 H44 B F4 N O2 -","- C46 H44 B F4 N O2 -","- C138 H132 B3 F12 N3 O6 -","3","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0433","0.0375","","","0.0827","0.0851","","","","","","1.049","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122670","9.1164","0.0006","27.1275","0.0016","9.9782","0.0006","90","","100.629","0.002","90","","2425.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B F4 N O2 -","- C27 H30 B F4 N O2 -","- C108 H120 B4 F16 N4 O8 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0603","0.0452","","","0.1041","0.1123","","","","","","1.056","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122671","11.5861","0.0016","12.2589","0.0017","16.041","0.002","82.4668","0.0016","88.9589","0.0016","75.582","0.0015","2187.3","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- H68 K4 Na6 Ni4 O102 P2 W18 -","- H4 K4 Na6 Ni4 O102 P2 W18 -","- H4 K4 Na6 Ni4 O102 P2 W18 -","1","0.5","","Lv, Hongjin; Guo, Weiwei; Wu, Kaifeng; Chen, Zheyuan; Bacsa, John; Musaev, Djamaladdin G.; Geletii, Yurii V.; Lauinger, Sarah M.; Lian, Tianquan; Hill, Craig L.","A Noble-Metal-Free, Tetra-nickel Polyoxotungstate Catalyst for Efficient Photocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2014","136","40","14015","","10.1021/ja5084078","","","0.71073","MoKα","","0.0444","0.0362","","","0.0893","0.0938","","","","","","1.042","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122672","8.6328","0.0009","8.7993","0.0009","28.664","0.003","89.787","0.002","83.161","0.002","73.91","0.003","2076.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H38 N12 O11 -","- C45 H38 N12 O11 -","- C90 H76 N24 O22 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.1051","0.0751","","","0.1436","0.1539","","","","","","1.156","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122673","13.137","0.0017","10.1694","0.0014","26.597","0.004","90","","98.7","0.003","90","","3512.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N9 O9 -","- C40 H31 N9 O9 -","- C160 H124 N36 O36 -","4","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0869","0.0597","","","0.1425","0.1616","","","","","","1.088","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122674","7.4551","0.0008","14.761","0.0014","28.613","0.003","90","","93.752","0.002","90","","3142","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N9 O8 -","- C33 H29 N9 O8 -","- C132 H116 N36 O32 -","4","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0746","0.0525","","","0.1345","0.1513","","","","","","1.063","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122675","13.4832","0.0014","10.4163","0.0012","13.7636","0.0016","90","","95.496","0.003","90","","1924.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0941","0.067","","","0.1321","0.1458","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122676","79.378","0.007","12.2996","0.001","31.089","0.003","90","","112.633","0.002","90","","28015","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cl3 O4 P -","- C43 H22 Cl3 O4 P -","- C1376 H704 Cl96 O128 P32 -","32","4","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1447","0.0928","","","0.1934","0.2144","","","","","","1.122","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122677","31.285","0.006","31.285","0.006","16.399","0.004","90","","90","","90","","16051","6","120","2","120","2","","","","","","","","4","I 41","I 4bw","80","","","","- C228 H84 O16 P4 -","- C228 H84 O16 P4 -","- C912 H336 O64 P16 -","4","0.5","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.073","0.0569","","","0.133","0.1399","","","","","","1.162","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122678","11.548","0.003","16.863","0.004","16.778","0.004","90","","100.312","0.003","90","","3214.5","1.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H21 O4 P -","- C42 H21 O4 P -","- C168 H84 O16 P4 -","4","2","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1149","0.0885","","","0.2383","0.2634","","","","","","1.013","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122679","7.8695","0.00017","11.6934","0.0003","12.1791","0.0003","102.214","0.002","105.141","0.002","99.416","0.002","1028.5","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 F6 N5 Pt Sb -","- C18 H20 F6 N5 Pt Sb -","- C36 H40 F12 N10 Pt2 Sb2 -","2","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0274","0.0223","","","0.0499","0.0517","","","","","","1.059","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122680","8.92385","0.00016","14.6411","0.0003","21.3047","0.0003","91.8823","0.0015","100.599","0.0014","104.132","0.0017","2644.42","0.09","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C106.8 H93.6 F24 N12 O3.6 Pt4 Sb4 -","4","4","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0427","0.0338","","","0.0854","0.0871","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122681","11.82761","0.00009","7.52718","0.00006","24.4124","0.0002","90","","93.9813","0.0008","90","","2168.16","0.03","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F6 N5 Pt Sb -","- C20 H16 F6 N5 Pt Sb -","- C80 H64 F24 N20 Pt4 Sb4 -","4","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","1.54184","CuKα","","0.0285","0.0249","","","0.0609","0.0623","","","","","","1.105","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122682","15.156","0.003","11.359","0.003","21.942","0.004","90","","100.659","0.005","90","","3712.3","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 -","- C23 H18 Cl N3 -","- C184 H144 Cl8 N24 -","8","1","","Daw, Prosenjit; Petakamsetty, Ramu; Sarbajna, Abir; Laha, Siladitya; Ramapanicker, Ramesh; Bera, Jitendra K.","A Highly Efficient Catalyst for Selective Oxidative Scission of Olefins to Aldehydes: Abnormal-NHC-Ru(II) Complex in Oxidation Chemistry.","Journal of the American Chemical Society","2014","136","40","13987","","10.1021/ja5075294","","","0.71073","MoKα","","0.1102","0.0574","","","0.123","0.1494","","","","","","1.005","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122683","10.9052","0.0007","17.507","0.0011","15.5267","0.001","90","","94.072","0.001","90","","2956.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Br2 Cl2 N3 Ru -","- C32 H31 Br2 Cl2 N3 Ru -","- C128 H124 Br8 Cl8 N12 Ru4 -","4","1","","Daw, Prosenjit; Petakamsetty, Ramu; Sarbajna, Abir; Laha, Siladitya; Ramapanicker, Ramesh; Bera, Jitendra K.","A Highly Efficient Catalyst for Selective Oxidative Scission of Olefins to Aldehydes: Abnormal-NHC-Ru(II) Complex in Oxidation Chemistry.","Journal of the American Chemical Society","2014","136","40","13987","","10.1021/ja5075294","","","0.71073","MoKα","","0.1191","0.0766","","","0.2119","0.2591","","","","","","1.081","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122684","14.465","0.002","15.922","0.001","35.52","0.003","90","","111.57","0.01","90","","7607.8","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 La N8 O19 Y -","- C65 H47 La N8 O19 Y -","- C260 H188 La4 N32 O76 Y4 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.1576","0.0853","","","0.1968","0.2334","","","","","","1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122685","14.45","0.001","15.867","0.002","35.483","0.003","90","","110.535","0.007","90","","7618.5","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H57 Ce0.7 N10 O19 Y1.3 -","- C75 H54 Ce0.7 N10 O19 Y1.3 -","- C300 H216 Ce2.8 N40 O76 Y5.2 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.1739","0.0973","","","0.2243","0.2721","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122686","14.45","0.003","15.827","0.003","35.468","0.006","90","","112.707","0.006","90","","7483","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 Ce N10 O19 Y -","- C75 H60 Ce N10 O19 Y -","- C300 H240 Ce4 N40 O76 Y4 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.7749","synchrotron","","0.0779","0.0583","","","0.1515","0.165","","","","","","1.041","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122687","14.5502","0.0003","15.8974","0.0003","35.5552","0.0009","90","","112.521","0.002","90","","7597.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 Ce Er N10 O19 -","- C75 H60 Ce Er N10 O19 -","- C300 H240 Ce4 Er4 N40 O76 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.117","0.0569","","","0.1101","0.1208","","","","","","0.921","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122688","14.5226","0.0011","15.8712","0.0011","35.345","0.002","90","","112.646","0.002","90","","7518.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H62.5 Er La N10.5 O19 -","- C77.5 H60.5 Er La N10.5 O19 -","- C310 H242 Er4 La4 N42 O76 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.7749","synchrotron","","0.0932","0.0838","","","0.1959","0.2003","","","","","","1.185","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122689","13.7444","0.0001","11.4337","0.0001","20.4733","0.0002","90","","94.8","0.001","90","","3206.08","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N4 Si -","- C34 H46 N4 Si -","- C136 H184 N16 Si4 -","4","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0559","0.0526","","","0.1442","0.1488","","","","","","1.044","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122690","20.2447","0.0002","13.0816","0.0001","23.9262","0.0003","90","","112.898","0.001","90","","5837.13","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Br N3 Si -","- C29 H42 Br N3 Si -","- C232 H336 Br8 N24 Si8 -","8","2","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0428","0.0395","","","0.0989","0.1011","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122691","9.0265","0.0002","19.804","0.0004","10.3399","0.0003","90","","114.806","0.003","90","","1677.83","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C32 H50 N6 Si2 -","- C32 H50 N6 Si2 -","- C64 H100 N12 Si4 -","2","0.5","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0759","0.0722","","","0.1848","0.1878","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122692","16.1243","0.0002","12.8303","0.0002","13.7672","0.0002","90","","96.057","0.001","90","","2832.25","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N4 Si -","- C29 H44 N4 Si -","- C116 H176 N16 Si4 -","4","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0459","0.0372","","","0.0912","0.0978","","","","","","1.025","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122693","21.7599","0.0004","14.356","0.0002","21.8626","0.0004","90","","90","","90","","6829.6","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H51 N5 Si -","- C36 H51 N5 Si -","- C288 H408 N40 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0673","0.0468","","","0.1099","0.1235","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122694","11.9124","0.0005","13.7376","0.0005","18.3154","0.0007","87.411","0.003","80.195","0.003","74.748","0.004","2849.5","0.2","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H82 Br2 Li2 N6 Si2 -","- C58 H82 Br2 Li2 N6 Si2 -","- C116 H164 Br4 Li4 N12 Si4 -","2","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0889","0.0748","","","0.1814","0.1961","","","","","","1.127","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122695","9.149","0.005","12.298","0.005","19.169","0.005","74.475","0.005","89.769","0.005","80.187","0.005","2045.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 N O7 Si -","- C43 H65 N O7 Si -","- C86 H130 N2 O14 Si2 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","1.5418","CuKα","","0.0755","0.0497","","","0.1361","0.1815","","","","","","1.039","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122696","11.236","0.003","9.694","0.002","30.536","0.007","90","","99.891","0.007","90","","3276.6","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Br Cl7 N3 O3 -","- C25 H35 Br Cl7 N3 O3 -","- C100 H140 Br4 Cl28 N12 O12 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1792","0.1211","","","0.2551","0.2879","","","","","","1.423","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122697","9.951","0.003","10.858","0.004","12.328","0.003","114.423","0.009","90.61","0.008","101.279","0.007","1183.1","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H33 Br Cl N3 O3 -","- C23 H32 Br N3 O3 -","- C46 H64 Br2 N6 O6 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.059","0.0479","","","0.1218","0.127","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122698","7.4902","0.0009","10.5726","0.0013","21.85","0.002","90","","90","","90","","1730.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C72 H108 N4 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.0351","0.033","","","0.0831","0.0843","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122699","7.6223","0.0009","17.3371","0.0015","23.506","0.003","90","","95.126","0.002","90","","3093.9","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Br Cl6 N3 O4 -","- C25 H32 Br Cl6 N3 O4 -","- C100 H128 Br4 Cl24 N12 O16 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.0609","0.0455","","","0.1037","0.1154","","","","","","1.02","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122700","8.344","0.002","14.187","0.003","15.306","0.003","90","","105.013","0.011","90","","1750","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 Br Cl6 N3 O5 -","- C26 H38 Br Cl2 N3 O5 -","- C52 H76 Br2 Cl4 N6 O10 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1025","0.0806","","","0.2094","0.2225","","","","","","1.042","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122701","14.7885","0.0018","15.481","0.002","14.806","0.002","90","","98.104","0.011","90","","3355.8","0.8","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C35 H52 N4 O4 -","- C35 H52 N4 O4 -","- C140 H208 N16 O16 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.0462","0.0428","","","0.1099","0.1123","","","","","","1.07","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122702","6.1992","0.0004","12.3171","0.0009","30.606","0.0015","90","","90","","90","","2337","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cl3 N2 O5 -","- C20 H33 Cl3 N2 O5 -","- C80 H132 Cl12 N8 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.049","0.0386","","","0.094","0.1023","","","","","","0.968","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122703","8.9767","0.0003","9.9161","0.0003","27.7083","0.0019","90","","90","","90","","2466.4","0.2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.1079","0.0549","","","0.1313","0.154","","","","","","0.924","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122704","18.553","0.0007","50.228","0.004","5.1431","0.0002","90","","90","","90","","4792.8","0.5","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.107","0.0733","","","0.187","0.2213","","","","","","1.157","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122705","16.0042","0.0015","9.8362","0.0008","22.3583","0.0019","90","","100.198","0.002","90","","3464.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N2 -","- C38 H60 N2 -","- C152 H240 N8 -","4","1","","Olankitwanit, Arnon; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","Synthesis of Aza-m-Xylylene Diradicals with Large Singlet-Triplet Energy Gap and Statistical Analyses of Their EPR Spectra.","Journal of the American Chemical Society","2014","136","40","14277","","10.1021/ja508119d","","","0.41328","synchrotron","","0.147","0.069","","","0.134","0.1627","","","","","","0.991","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122706","6.9085","0.0009","10.0392","0.0012","21.009","0.003","90","","93.407","0.002","90","","1454.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Olankitwanit, Arnon; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","Synthesis of Aza-m-Xylylene Diradicals with Large Singlet-Triplet Energy Gap and Statistical Analyses of Their EPR Spectra.","Journal of the American Chemical Society","2014","136","40","14277","","10.1021/ja508119d","","","0.41328","synchrotron","","0.0664","0.0512","","","0.154","0.1645","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122707","31.3443","0.001","32.3864","0.0011","92.098","0.003","90","","90","","90","","93491","5","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Ce7 H434 K Mo100 O518 -","- Ce7 K Mo100 O477.6 -","- Ce56 K8 Mo800 O3820.8 -","8","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.084","0.058","","","0.147","0.19","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122708","27.0684","0.0014","28.3041","0.0014","35.7553","0.0018","92.786","0.003","110.338","0.002","91.695","0.003","25624","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- Ce14 H1104 K2 Mo200 O1154 -","- Ce14 K Mo200 O968.7 -","- Ce14 K Mo200 O968.7 -","1","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.0834","0.0556","","","0.1474","0.1793","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122709","10.272","0.002","10.655","0.002","17.385","0.004","92.947","0.006","101.171","0.006","117.538","0.005","1633.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H38 F4 N2 O3 Ru -","- C37 H38 F4 N2 O3 Ru -","- C74 H76 F8 N4 O6 Ru2 -","2","1","","Khan, R Kashif M; Torker, Sebastian; Hoveyda, Amir H.","Reactivity and Selectivity Differences between Catecholate and Catechothiolate Ru Complexes. Implications Regarding Design of Stereoselective Olefin Metathesis Catalysts.","Journal of the American Chemical Society","2014","136","41","14337","","10.1021/ja505961z","","","1.54178","CuKα","","0.0209","0.0208","","","0.0508","0.0509","","","","","","1.053","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122710","15.5758","0.0008","15.505","0.0008","15.5858","0.0008","90","","98.722","0.003","90","","3720.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 N3 O2 Ru -","- C45 H47 N3 O2 Ru -","- C180 H188 N12 O8 Ru4 -","4","1","","Khan, R Kashif M; Torker, Sebastian; Hoveyda, Amir H.","Reactivity and Selectivity Differences between Catecholate and Catechothiolate Ru Complexes. Implications Regarding Design of Stereoselective Olefin Metathesis Catalysts.","Journal of the American Chemical Society","2014","136","41","14337","","10.1021/ja505961z","","","0.71073","MoKα","","0.0859","0.043","","","0.0766","0.0891","","","","","","1.008","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122711","20.0944","0.0014","20.0944","0.0014","20.0944","0.0014","90","","90","","90","","8113.8","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.0748","0.0552","","","0.1627","0.1703","","","","","","1.077","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122712","20.0872","0.0019","20.0872","0.0019","20.0872","0.0019","90","","90","","90","","8105.1","1.3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.1252","0.1109","","","0.2419","0.2484","","","","","","1.188","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122713","20.1619","0.0003","20.1619","0.0003","20.1619","0.0003","90","","90","","90","","8195.9","0.2","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1428","0.1245","","","0.2471","0.2548","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122714","20.131","0.0004","20.131","0.0004","20.131","0.0004","90","","90","","90","","8158.2","0.3","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 Co2 N12 O14 Zn6 -","- C24 H12 Co2 N12 O14 Zn6 -","- C96 H48 Co8 N48 O56 Zn24 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1206","0.0885","","","0.1769","0.1938","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122715","20.1616","0.0002","20.1616","0.0002","20.1616","0.0002","90","","90","","90","","8195.49","0.14","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1417","0.1223","","","0.2619","0.2732","","","","","","1.061","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122716","20.1405","0.0001","20.1405","0.0001","20.1405","0.0001","90","","90","","90","","8169.79","0.07","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1403","0.1256","","","0.267","0.2745","","","","","","1.104","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122717","20.1448","0.0001","20.1448","0.0001","20.1448","0.0001","90","","90","","90","","8175.02","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0787","0.0748","","","0.1855","0.1873","","","","","","1.183","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122718","20.1107","0.0001","20.1107","0.0001","20.1107","0.0001","90","","90","","90","","8133.58","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0847","0.0766","","","0.2041","0.2094","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122719","20.1232","0.0001","20.1232","0.0001","20.1232","0.0001","90","","90","","90","","8148.75","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0863","0.0769","","","0.1937","0.1995","","","","","","1.178","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122720","20.1198","0.0005","20.1198","0.0005","20.1198","0.0005","90","","90","","90","","8144.6","0.4","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0569","0.0468","","","0.1312","0.1358","","","","","","1.002","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122721","16.158","0.003","15.794","0.003","16.302","0.003","90","","103.762","0.004","90","","4040.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.34 H33 Cl4.02 D1.34 N O4 -","- C48.338 H33 Cl4.014 D1.338 N O4 -","- C193.352 H132 Cl16.056 D5.352 N4 O16 -","4","1","","Hwang, Jungwun; Li, Ping; Carroll, William R.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Additivity of Substituent Effects in Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","136","40","14060","","10.1021/ja504378p","","","0.71073","MoKα","","0.118","0.0658","","","0.1564","0.1795","","","","","","0.979","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122722","9.6849","0.0009","11.8004","0.0011","16.09","0.0015","80.08","0.002","80.09","0.002","80.508","0.002","1766.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cl N O4 -","- C46 H30 Cl N O4 -","- C92 H60 Cl2 N2 O8 -","2","1","","Hwang, Jungwun; Li, Ping; Carroll, William R.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Additivity of Substituent Effects in Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","136","40","14060","","10.1021/ja504378p","","","0.71073","MoKα","","0.0689","0.0479","","","0.1148","0.1246","","","","","","1","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122723","23.4123","0.0004","9.0701","0.0002","18.5703","0.0003","90","","118.601","0.001","90","","3462.24","0.12","173","2","172.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 B O6 -","- C16 H23 B O6 -","- C128 H184 B8 O48 -","8","1","","Ghaffari, Behnaz; Preshlock, Sean M.; Plattner, Donald L.; Staples, Richard J.; Maligres, Peter E.; Krska, Shane W.; Maleczka, Jr, Robert E; Smith, 3rd, Milton R","Silyl Phosphorus and Nitrogen Donor Chelates for Homogeneous Ortho Borylation Catalysis.","Journal of the American Chemical Society","2014","136","41","14345","","10.1021/ja506229s","","","1.54178","CuKα","","0.0701","0.0663","","","0.1903","0.1943","","","","","","1.075","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122724","9.9128","0.0011","10.2416","0.0011","16.4821","0.0018","77.315","0.001","86.765","0.001","69.119","0.001","1524.8","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ir P Si -","- C34 H44 Ir P Si -","- C68 H88 Ir2 P2 Si2 -","2","1","","Ghaffari, Behnaz; Preshlock, Sean M.; Plattner, Donald L.; Staples, Richard J.; Maligres, Peter E.; Krska, Shane W.; Maleczka, Jr, Robert E; Smith, 3rd, Milton R","Silyl Phosphorus and Nitrogen Donor Chelates for Homogeneous Ortho Borylation Catalysis.","Journal of the American Chemical Society","2014","136","41","14345","","10.1021/ja506229s","","","0.71073","MoKα","","0.0519","0.0395","","","0.0819","0.0884","","","","","","1.06","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122725","25.2024","0.0004","13.7121","0.0002","25.3895","0.0004","90","","116.212","0.0004","90","","7871.8","0.2","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 Cl Ge N2 O3 W -","- C40 H51 Cl Ge N2 O3 W -","- C320 H408 Cl8 Ge8 N16 O24 W8 -","8","2","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0601","0.0516","","","0.1322","0.1404","","","","","","1.12","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122726","16.7596","0.0005","9.4706","0.0003","17.3328","0.0005","90","","95.1602","0.001","90","","2739.97","0.14","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H35 Cl Ge N2 O3 W -","- C24 H35 Cl Ge N2 O3 W -","- C96 H140 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.068","0.0544","","","0.1272","0.1358","","","","","","1.197","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122727","15.1009","0.0011","8.6137","0.0006","18.7415","0.0013","90","","110.979","0.0014","90","","2276.2","0.3","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 Cl Ge N2 O3 W -","- C20 H27 Cl Ge N2 O3 W -","- C80 H108 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0795","0.0668","","","0.1564","0.1633","","","","","","1.133","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122728","14.9419","0.0006","18.725","0.0006","26.8623","0.0009","97.183","0.0012","92.0485","0.001","101.438","0.0009","7294.5","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H63 B F24 Ge N2 O3 W -","- C72 H63 B F24 Ge N2 O3 W -","- C288 H252 B4 F96 Ge4 N8 O12 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1142","0.0823","","","0.1989","0.2195","","","","","","1.087","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122729","12.8703","0.0004","19.4136","0.0005","27.6906","0.001","94.436","0.0011","94.1879","0.001","98.6647","0.0009","6794.1","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C130 H109 B2 F51 Ge2 N4 O6 W2 -","- C130 H104 B2 F50 Ge2 N4 O6 W2 -","- C260 H208 B4 F100 Ge4 N8 O12 W4 -","2","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1089","0.0776","","","0.181","0.1982","","","","","","1.086","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122730","12.7478","0.0012","14.3085","0.001","16.6663","0.0012","111.179","0.003","99.6","0.004","93.475","0.003","2770.7","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","1","0.5","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1062","0.0842","","","0.2026","0.2149","","","","","","1.199","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122731","22.7502","0.0009","22.7502","0.0009","22.7502","0.0009","90","","90","","90","","11774.9","0.8","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C168 H144 Fe4 N48 O16 S4 -","- C168 H144 Fe4 N48 -","- C336 H288 Fe8 N96 -","2","0.0833333","","Bolliger, Jeanne L.; Ronson, Tanya K.; Ogawa, Masahiro; Nitschke, Jonathan R.","Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage.","Journal of the American Chemical Society","2014","136","41","14545","","10.1021/ja5077102","","","0.71073","MoKα","","0.0971","0.0802","","","0.213","0.2288","","","","","","1.047","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122732","10.5376","0.0004","11.9462","0.0005","12.0486","0.0005","93.522","0.002","113.425","0.002","94.009","0.002","1381.71","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","Complex 1","","","- C23 H39 Cl Ir N O5 P -","- C23 H39 Cl Ir N O5 P -","- C46 H78 Cl2 Ir2 N2 O10 P2 -","2","1","","Kita, Matthew R.; Miller, Alexander J. M.","Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.","Journal of the American Chemical Society","2014","136","41","14519","","10.1021/ja507324s","","","1.54178","CuKα","","0.038","0.0344","","","0.083","0.0858","","","","","","1.077","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122733","35.8564","0.0005","12.8798","0.0002","26.6812","0.0003","90","","98.0262","0.0006","90","","12201.3","0.3","100.15","","100.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Complex 2","block","","- C55 H51 B F24 Ir N O5 P -","- C55 H51 B F24 Ir N O5 P -","- C440 H408 B8 F192 Ir8 N8 O40 P8 -","8","1","","Kita, Matthew R.; Miller, Alexander J. M.","Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.","Journal of the American Chemical Society","2014","136","41","14519","","10.1021/ja507324s","","","1.54178","CuKα","","0.0325","0.0287","","","0.0728","0.0746","","","","","","1.054","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122734","31.574","0.004","17.923","0.002","32.134","0.006","90","","119.365","0.003","90","","15848","4","100","2","100","2","","","","","","","","10","I 1 2/a 1","-I 2ya","15","","","","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C592 H568 Ag8 Ca8 Cl28 F24 Mn24 N80 O116 S8 -","8","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.2258","0.1667","","","0.4213","0.4924","","","","","","2.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122735","13.9463","0.0015","16.9456","0.0018","21.456","0.002","101.26","0.003","102.405","0.003","102.535","0.003","4676.1","0.8","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C93.91 H91.19 Ca F3 Mn3 N10 O15.55 S -","- C93.91 H89.186 Ca F3 Mn3 N10 O15.546 S -","- C187.82 H178.372 Ca2 F6 Mn6 N20 O31.092 S2 -","2","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.1404","0.076","","","0.1878","0.2244","","","","","","1.044","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122736","14.8835","0.001","16.1532","0.0011","16.7758","0.0011","88.985","0.003","89.785","0.003","69.483","0.003","3776.7","0.4","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H81 F3 Gd Mn3 N11 O17 S -","- C77 H79 F3 Gd Mn3 N11 O17 S -","- C154 H158 F6 Gd2 Mn6 N22 O34 S2 -","2","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.1131","0.065","","","0.1574","0.1808","","","","","","1.037","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122737","12.0962","0.0005","9.3752","0.0004","20.3554","0.0009","90","","91.582","0.002","90","","2307.51","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N4 O6 Re -","- C20 H22 Cl N4 O6 Re -","- C80 H88 Cl4 N16 O24 Re4 -","4","1","","Machan, Charles W.; Chabolla, Steven A.; Yin, Jian; Gilson, Michael K.; Tezcan, F. Akif; Kubiak, Clifford P.","Supramolecular Assembly Promotes the Electrocatalytic Reduction of Carbon Dioxide by Re(I) Bipyridine Catalysts at a Lower Overpotential.","Journal of the American Chemical Society","2014","136","41","14598","","10.1021/ja5085282","","","0.71073","MoKα","","0.0346","0.0257","","","0.0781","0.0893","","","","","","0.712","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122738","24.7255","0.0018","24.7255","0.0018","20.3293","0.0011","90","","90","","120","","10763.2","1.3","110","2","110","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate iodine clathrate","","- C171 H138 B6 F24 I2 N18 O18 Pd3 -","- C171 H138 B6.01 F24.04 I2.01 N18 O18 Pd3 -","- C342 H276 B12.02 F48.08 I4.02 N36 O36 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1598","0.1292","","","0.367","0.3991","","","","","","1.687","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122739","25.21","0.0012","25.21","0.0012","20.5293","0.0007","90","","90","","120","","11299.3","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(2-methyl-isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate","","- C185 H174 B6 F24 N26 O34 Pd3 -","- C177 H150 B6.01 F24.01 N18 O18 Pd3 -","- C354 H300 B12.02 F48.02 N36 O36 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1835","0.1417","","","0.3436","0.3647","","","","","","1.927","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122740","24.736","0.0008","24.736","0.0008","20.0595","0.0007","90","","90","","120","","10629.4","0.6","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-tris(propyl)-cyclotricatechylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate 1,2-dichlorobenzene nitromethane clathrate","","- C206 H189 B6 Cl6 F24 N23 O28 Pd3 -","- C201.99 H177.06 B6.01 Cl6 F24.04 N19 O20.01 Pd3 -","- C403.98 H354.12 B12.02 Cl12 F48.08 N38 O40.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1348","0.1233","","","0.3418","0.3488","","","","","","2.594","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122741","24.6118","0.0019","24.6118","0.0019","20.272","0.003","90","","90","","120","","10634","2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-tris(propyl)-cyclotricatechylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate nitromethane clathrate","","- C191 H186 B6 F24 N26 O34 Pd3 -","- C186.99 H174.03 B6.01 F24.04 N22 O26.01 Pd3 -","- C373.98 H348.06 B12.02 F48.08 N44 O52.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1162","0.096","","","0.2723","0.2935","","","","","","1.186","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122742","12.2792","0.0003","14.3456","0.0004","20.8758","0.0006","90","","96.321","0.001","90","","3654.97","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(acetonitrile)[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]palladium(II) tetrafluoroborate acetonitrile","","- C35 H33 B2 F8 N7 Pd -","- C35 H33 B2 F8 N7 Pd -","- C140 H132 B8 F32 N28 Pd4 -","4","1","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.71073","MoKα","","0.0922","0.0661","","","0.1715","0.1914","","","","","","1.034","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122743","24.6185","0.0014","24.6185","0.0014","20.3337","0.0012","90","","90","","120","","10672.6","1.1","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate nitromethane clathrate","","- C179 H162 B6 F24 N26 O34 Pd3 -","- C174.99 H150.03 B6.01 F24.04 N22 O26.01 Pd3 -","- C349.98 H300.06 B12.02 F48.08 N44 O52.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1269","0.1082","","","0.3142","0.3312","","","","","","1.373","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122744","24.7016","0.0008","24.7016","0.0008","20.3905","0.0007","90","","90","","120","","10774.8","0.6","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate iodine clathrate","","- C171 H147 B6 F24 I6 N18 O22.5 Pd3 -","- C171 H138 B6.01 F24.04 I6.07 N18 O22.5 Pd3 -","- C342 H276 B12.02 F48.08 I12.14 N36 O45 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1843","0.1468","","","0.3884","0.4234","","","","","","1.761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122745","10.9396","0.0006","10.9396","0.0006","14.064","0.0011","90","","90","","90","","1683.11","0.19","223","","223","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H20 N2 O8 Zn2 -","- C34 H8 N2 O8 Zn2 -","- C34 H8 N2 O8 Zn2 -","1","0.0625","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.7107","MoKα","","","0.0692","","","","0.2315","","","","","","1.158","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122746","9.923","0.016","19.1","0.03","14.33","0.03","90","","90","","90","","2716","8","93","","93","","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C56 H34 N4 O16 Zn4 -","- C55.9952 N4 O16 Zn4 -","- C111.99 N8 O32 Zn8 -","2","0.125","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.71075","MoKα","","","0.1428","","","","0.3874","","","","","","1.333","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122747","10.887","0.003","10.923","0.003","14.068","0.004","89.214","0.008","87.59","0.007","79.816","0.008","1645.1","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N3 O9 Zn2 -","- C31 H8 N3 O9 Zn2 -","- C62 H16 N6 O18 Zn4 -","2","1","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.71075","MoKα","","","0.0512","","","","0.1835","","","","","","1.098","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122752","17.8314","0.0007","17.0079","0.0007","20.8227","0.0008","90","","114.012","0.002","90","","5768.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H77 B Co N6 O -","- C70 H77 B Co N6 O -","- C280 H308 B4 Co4 N24 O4 -","4","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","1.54178","CuKα","","0.0669","0.0486","","","0.1159","0.1258","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122753","19.0807","0.0018","42.12","0.005","22.668","0.002","90","","90","","90","","18218","3","120","2","120","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C50 H65.25 Cl Co N5.94 O2.16 -","- C50 H65.257 Cl Co N5.937 O2.159 -","- C800 H1044.11 Cl16 Co16 N94.992 O34.544 -","16","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","0.71073","MoKα","","0.0948","0.0584","","","0.1106","0.1164","","","","","","1.639","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122754","13.421","0.002","21.477","0.003","17.353","0.002","90","","96.674","0.003","90","","4968","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Cs F N6 O5 -","- C53 H62 Cs F N6 O5 -","- C212 H248 Cs4 F4 N24 O20 -","4","1","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.0783","0.0524","","","0.1076","0.1182","","","","","","1.073","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122755","24.031","0.003","20.452","0.002","24.097","0.002","90","","112.993","0.004","90","","10902","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 Cl N7 O4 -","- C60 H78 Cl N7 O4 -","- C480 H624 Cl8 N56 O32 -","8","2","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.1449","0.0712","","","0.1432","0.1893","","","","","","1.046","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122756","11.318","0.002","23.919","0.003","25.502","0.004","90","","95.086","0.003","90","","6876.6","1.8","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H97 Cl3 N8 O12 S -","- C64 H95 Cl3 N8 O12 S -","- C256 H380 Cl12 N32 O48 S4 -","4","1","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.2094","0.0948","","","0.2155","0.2715","","","","","","1.038","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122757","13.6765","0.0017","14.0933","0.0019","14.6861","0.0018","101.957","0.006","113.378","0.005","92.43","0.006","2517.4","0.6","193","2","193","2","","","","","","","","11","P -1","-P 1","2","","","","- C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 -","- C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 -","- C72 H78 Au2 B20 Cl8 F12 I2 N2 O8 P4 S4 -","2","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.1196","0.0619","","","0.1554","0.2278","","","","","","1.083","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122758","12.6158","0.0004","24.9363","0.0008","17.8759","0.0006","90","","105.403","0.001","90","","5421.6","0.3","193","2","193","2","","","","","","","synthesis as described","11","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Au B10 Cl4 F6 I N5 O4 P2 S2 -","- C33 H59 Au B10 Cl4 F6 I N5 O4 P2 S2 -","- C132 H236 Au4 B40 Cl16 F24 I4 N20 O16 P8 S8 -","4","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0736","0.0385","","","0.0786","0.0925","","","","","","1.022","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122759","16.8086","0.0008","13.3678","0.0006","19.1005","0.0009","90","","103.857","0.002","90","","4166.9","0.3","193","2","193","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C21 H48 Au B10 Cl2 F6 N5 O4 P2 S2 -","- C21 H48 Au B10 Cl2 F6 N5 O4 P2 S2 -","- C84 H192 Au4 B40 Cl8 F24 N20 O16 P8 S8 -","4","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","","0.71073","MoKα","","0.0557","0.0306","","","0.0609","0.0674","","","","","","1.017","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122760","13.6536","0.0004","17.8161","0.0005","37.5266","0.001","90","","90","","90","","9128.5","0.4","193","2","193","2","","","","","","","synthesis as described","11","C 2 2 21","C 2c 2","20","","","","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C204 H408 Au8 B80 Cl8 F48 I8 N48 O32 P16 S16 -","4","0.5","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0446","0.0331","","","0.0665","0.0783","","","","","","1.082","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122761","43.3","0.001","43.3","0.001","43.3","0.001","90","","90","","90","","81183","3","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 Ag6 Cl12 F36 N24 P6 S6 -","- C144 H156 Ag6 F35.96 N24 P6 S6 -","- C2304 H2496 Ag96 F575.36 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0784","0.0501","","","0.1163","0.1339","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122762","43.025","0.002","43.025","0.002","43.025","0.002","90","","90","","90","","79646","6","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C183 H204 Ag6 F36 N24 O6 P6 S6 -","- C162 H156 Ag6 F35.96 N24 P6 S6 -","- C2592 H2496 Ag96 F575.36 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0661","0.0419","","","0.1063","0.1178","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122763","43.087","0.002","43.087","0.002","43.087","0.002","90","","90","","90","","79991","6","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C180 H234 Ag6 F42 N24 O12 P6 S6 -","- C137.64 H137.76 Ag6 F41.9 N24 P6 S6 -","- C2202.24 H2204.16 Ag96 F670.4 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0955","0.0466","","","0.0903","0.1021","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122764","42.95","0.003","42.95","0.003","42.95","0.003","90","","90","","90","","79230","10","293","2","293","2","","","","","","","","9","F d -3 :2","-F 2uv 2vw 3","203","","","","- C156 H180 Ag6 Cl24 F36 N24 O6 P6 S6 -","- C144 H156 Ag6 F35.96 N24 O6 P6 S6 -","- C2304 H2496 Ag96 F575.36 N384 O96 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1093","0.0773","","","0.2156","0.2453","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122765","11.708","0.001","15.342","0.001","34.461","0.002","90","","90","","90","","6190","0.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C200 H200 Ag8 Cl16 F32 N32 O24 S16 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.0462","","","0.1288","0.141","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122766","30.542","0.007","22.961","0.005","24.166","0.005","90","","131.839","0.003","90","","12626","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Ag2 F6 N8 O7.5 S4 -","- C56 H64 Ag2 F6 N8 O7.5 S4 -","- C448 H512 Ag16 F48 N64 O60 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1265","0.0532","","","0.1217","0.1488","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122767","22.444","0.001","20.464","0.001","28.423","0.001","90","","90","","90","","13054.5","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C464 H448 Ag16 Cl32 F48 N64 O48 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1354","0.0515","","","0.0834","0.0969","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122768","22.553","0.003","12.525","0.001","20.818","0.002","90","","90","","90","","5880.6","1.1","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C196 H216 Ag8 Cl8 F48 N32 O8 P8 S8 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0795","0.0411","","","0.0425","0.0467","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122769","22.726","0.009","13.108","0.005","20.763","0.007","90","","90","","90","","6185","4","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C204 H216 Ag8 Cl8 F24 N32 O32 S16 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0647","0.0401","","","0.0865","0.0944","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122770","23.758","0.002","23.758","0.002","22.318","0.002","90","","90","","90","","12597.2","1.9","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C26.5 H31.5 Ag F6 N4 O0.75 P S -","- C26.5 H29 Ag F6 N4 O0.75 P S -","- C424 H464 Ag16 F96 N64 O12 P16 S16 -","16","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.042","","","0.1091","0.1215","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122771","21.775","0.001","21.08","0.001","27.323","0.002","90","","90","","90","","12541.7","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C408 H436 Ag16 F48 N64 O50 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1343","0.0555","","","0.1049","0.1258","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122772","16.1996","0.0007","8.8498","0.0004","13.0994","0.0005","90","","103.144","0.001","90","","1828.77","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0708","0.0448","","","0.1164","0.1322","","","","","","1.051","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122773","16.2248","0.001","8.8585","0.0005","13.0907","0.0008","90","","103.194","0.001","90","","1831.83","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0751","0.0482","","","0.1287","0.1436","","","","","","1.079","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122774","14.1437","0.001","10.7763","0.0008","12.2759","0.0009","90","","92.9231","0.001","90","","1868.6","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Be O4 -","- C26 H14 Be O4 -","- C104 H56 Be4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0987","0.0494","","","0.116","0.138","","","","","","1.004","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122775","16.2127","0.0007","8.8624","0.0004","13.0931","0.0006","90","","103.167","0.001","90","","1831.8","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0757","0.0469","","","0.1201","0.1361","","","","","","1.054","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122776","16.3111","0.0012","8.8173","0.0006","13.0729","0.001","90","","103.499","0.001","90","","1828.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0809","0.0485","","","0.1215","0.1373","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122777","16.2217","0.0005","8.8531","0.0003","13.0922","0.0004","90","","103.187","0.001","90","","1830.62","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0531","0.0434","","","0.1264","0.1362","","","","","","1.062","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122778","16.3914","0.0003","8.7861","0.0002","13.0587","0.0003","90","","103.74","0.001","90","","1826.85","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0618","0.0459","","","0.1358","0.1497","","","","","","1.026","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122779","16.2312","0.001","8.8458","0.0005","13.0948","0.0008","90","","103.209","0.001","90","","1830.38","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0727","0.0474","","","0.1234","0.1399","","","","","","1.035","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122780","16.0323","0.0006","8.9644","0.0003","13.1066","0.0005","90","","102.599","0.002","90","","1838.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0781","0.0438","","","0.1153","0.133","","","","","","1.031","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122781","16.1858","0.0008","8.8633","0.0004","13.1029","0.0007","90","","103.117","0.001","90","","1830.69","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0713","0.047","","","0.1275","0.1444","","","","","","1.038","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122782","25.1101","0.0003","11.0118","0.0002","19.2265","0.0001","90","","90","","90","","5316.27","0.12","100","2","100.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H56 F18 Ir2 N7 P3 -","- C46 H56 F18 Ir2 N7 P3 -","- C184 H224 F72 Ir8 N28 P12 -","4","1","","Barrett, Seth M.; Pitman, Catherine L.; Walden, Andrew G.; Miller, Alexander J. M.","Photoswitchable hydride transfer from iridium to 1-methylnicotinamide rationalized by thermochemical cycles.","Journal of the American Chemical Society","2014","136","42","14718","14721","10.1021/ja508762g","","","1.54178","CuKα","","0.0441","0.0401","","","0.0942","0.0967","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122783","11.2341","0.0004","5.9399","0.0002","13.0778","0.0004","90","","97.744","0.002","90","","864.72","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Br Cl O4 -","- C18 H18 Br Cl O4 -","- C36 H36 Br2 Cl2 O8 -","2","1","","Goodman, C. Guy; Johnson, Jeffrey S.","Dynamic Kinetic Asymmetric Cross-Benzoin Additions of β-Stereogenic α-Keto Esters.","Journal of the American Chemical Society","2014","136","42","14698","14701","10.1021/ja508521a","","","1.54178","CuKα","","0.0282","0.0259","","","0.0603","0.0611","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122784","11.75","0.003","10.503","0.002","22.465","0.005","90","","105.16","","90","","2675.9","1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(Na)(SPh)","","","- C24 H36 Na O2 P2 Rh S -","- C24 H36 Na O2 P2 Rh S -","- C96 H144 Na4 O8 P8 Rh4 S4 -","4","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0365","0.0291","","","0.0591","0.0612","","","","","","0.962","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122785","7.971","0.002","10.293","0.003","16.739","0.005","104.378","0.003","97.568","0.003","91.94","0.003","1315.6","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","(POCOP)Rh(H)(SPh)","","","- C24 H36 O2 P2 Rh S -","- C24 H36 O2 P2 Rh S -","- C48 H72 O4 P4 Rh2 S2 -","2","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0922","0.087","","","0.2382","0.24","","","","","","1.23","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122786","11.742","0.002","21.333","0.004","12.042","0.002","90","","100.23","0.002","90","","2968.5","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(SPh2)","","","- C30 H41 O2 P2 Rh S -","- C30 H41 O2 P2 Rh S -","- C120 H164 O8 P8 Rh4 S4 -","4","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0385","0.032","","","0.0865","0.0897","","","","","","0.963","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122787","11.492","0.003","32.514","0.008","16.267","0.004","90","","92.333","0.003","90","","6073","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(POCOP)Rh(Ph)(SPh)","","","- C30 H41 O2 P2 Rh S -","- C30 H41 O2 P2 Rh S -","- C240 H328 O16 P16 Rh8 S8 -","8","2","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.1068","0.0461","","","0.0641","0.0755","","","","","","0.784","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122788","18.8758","0.001","20.3394","0.0013","13.1067","0.0008","90","","104.883","0.003","90","","4863.1","0.5","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H94 F36 N16 P6 -","- C82 H94 F36 N16 P6 -","- C164 H188 F72 N32 P12 -","2","0.5","","Cheng, Chuyang; McGonigal, Paul R.; Liu, Wei-Guang; Li, Hao; Vermeulen, Nicolaas A.; Ke, Chenfeng; Frasconi, Marco; Stern, Charlotte L.; Goddard Iii, William A.; Stoddart, J. Fraser","Energetically demanding transport in a supramolecular assembly.","Journal of the American Chemical Society","2014","136","42","14702","14705","10.1021/ja508615f","","","1.54178","CuKα","","0.0744","0.0696","","","0.187","0.1898","","","","","","1.123","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122789","10.4419","0.0019","11.239","0.002","13.655","0.003","84.562","0.004","85.982","0.003","75.605","0.003","1543.4","0.5","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 F3 N2 O2 Rh -","- C36 H34 F3 N2 O2 Rh -","- C72 H68 F6 N4 O4 Rh2 -","2","1","","O'Reilly, Matthew E; Fu, Ross; Nielsen, Robert J.; Sabat, Michal; Goddard, 3rd, William A; Gunnoe, T. Brent","Long-Range C-H Bond Activation by Rh(III)-Carboxylates.","Journal of the American Chemical Society","2014","136","42","14690","14693","10.1021/ja508367m","","","0.71073","MoKα","","0.0278","0.0229","","","0.0482","0.05","","","","","","1.04","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122790","11.2149","0.0009","15.3785","0.0012","15.982","0.0011","91.046","0.006","93.877","0.007","98.227","0.007","2720.7","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","[{(t-BuC6H4)3CCONH](n-BuCONH)C6H3COO}2Mg(H2O)4]-5(dioxane)-2H2O","","- C108 H158 Mg N4 O24 -","- C108 H158 Mg N4 O24 -","- C108 H158 Mg N4 O24 -","1","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0901","0.0714","","","0.1861","0.1997","","","","","","1.038","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122791","11.074","0.003","16.485","0.005","28.872","0.009","84.653","0.006","85.433","0.006","81.963","0.006","5184","3","200","","200","","","","","","","","","5","P -1","-P 1","2","","[{(t-BuC6H4)3CCONHC6H4COO}2Mg(H2O)4]-7(dioxane)","","- C106 H152 Mg N2 O24 -","- C106 H152 Mg N2 O24 -","- C212 H304 Mg2 N4 O48 -","2","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.213","0.0814","","","0.1681","0.2129","","","","","","1.005","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122792","26.9772","0.0018","25.2813","0.0005","16.7103","0.0003","90","","90","","90","","11396.7","0.8","200","","200","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[{[(t-BuC6H4)3CCONH](n-BuCONH)C6H4COO}2Zn(H2O)4]-6(dioxane)","","- C112 H162 N4 O24 Zn -","- C112 H162 N4 O24 Zn -","- C448 H648 N16 O96 Zn4 -","4","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0836","0.0599","","","0.1473","0.1614","","","","","","1.018","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122793","11.0889","0.0012","14.4891","0.0016","16.502","0.002","84.685","0.006","82.201","0.006","85.359","0.006","2609.2","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Zn(H2O)4{O2CC6H4NHCOC(C6H4-t-Bu)3}2]-7(dioxane)","","- C106 H152 N2 O24 Zn -","- C106 H152 N2 O24 Zn -","- C106 H152 N2 O24 Zn -","1","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.2576","0.0846","","","0.1152","0.1484","","","","","","0.945","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122794","23.344","0.0015","14.6417","0.0009","15.9048","0.001","90","","102.03","0.004","90","","5316.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PMIdimer1","","- C69 H53 Cl3 N2 O6 -","- C69 H53 Cl3 N2 O6 -","- C276 H212 Cl12 N8 O24 -","4","1","","Lindquist, Rebecca J.; Lefler, Kelly M.; Brown, Kristen E.; Dyar, Scott M.; Margulies, Eric A.; Young, Ryan M.; Wasielewski, Michael R.","Energy Flow Dynamics within Cofacial and Slip-Stacked Perylene-3,4-dicarboximide Dimer Models of π-Aggregates.","Journal of the American Chemical Society","2014","136","42","14912","14923","10.1021/ja507653p","","","1.54178","CuKα","","0.2039","0.1517","","","0.3748","0.4083","","","","","","1.394","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122795","17.3715","0.0012","21.011","0.0015","21.0234","0.0014","73.849","0.005","71.103","0.005","69.341","0.005","6675.5","0.8","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C80.88 H59.38 Cl4.12 N2 O5.5 -","- C80.875 H59.375 Cl4.125 N2 O5.5 -","- C323.5 H237.5 Cl16.5 N8 O22 -","4","2","","Lindquist, Rebecca J.; Lefler, Kelly M.; Brown, Kristen E.; Dyar, Scott M.; Margulies, Eric A.; Young, Ryan M.; Wasielewski, Michael R.","Energy Flow Dynamics within Cofacial and Slip-Stacked Perylene-3,4-dicarboximide Dimer Models of π-Aggregates.","Journal of the American Chemical Society","2014","136","42","14912","14923","10.1021/ja507653p","","","1.54178","CuKα","","0.1568","0.0963","","","0.2415","0.2686","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122796","11.815","0.005","9.296","0.005","11.952","0.006","90","","110.06","0.02","90","","1233.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O5 -","- C25 H38 N2 O5 -","- C50 H76 N4 O10 -","2","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0288","0.0283","","","0.072","0.0724","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122797","13.8249","0.0011","16.1166","0.0011","17.3628","0.0017","90","","90","","90","","3868.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N4 O7 -","- C38 H60 N4 O7 -","- C152 H240 N16 O28 -","4","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0285","0.0282","","","0.0732","0.0735","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122798","8.0074","0.0003","11.6089","0.0006","13.7965","0.0008","86.976","0.004","78.153","0.004","73.826","0.004","1205.47","0.11","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N3 O6 S -","- C25 H29 N3 O6 S -","- C50 H58 N6 O12 S2 -","2","1","","Wagnières, Olivier; Xu, Zhengren; Wang, Qian; Zhu, Jieping","Unified strategy to monoterpene indole alkaloids: total syntheses of (±)-goniomitine, (±)-1,2-dehydroaspidospermidine, (±)-aspidospermidine, (±)-vincadifformine, and (±)-kopsihainanine a.","Journal of the American Chemical Society","2014","136","42","15102","15108","10.1021/ja509329x","","","1.54178","CuKα","","0.0385","0.037","","","0.0963","0.0977","","","","","","1.03","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122799","7.6082","0.0004","5.8948","0.0003","28.6991","0.0015","90","","93.583","0.003","90","","1284.6","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B N -","- C18 H14 B N -","- C72 H56 B4 N4 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","1.54178","CuKα","","0.0666","0.0616","","","0.1449","0.1485","","","","","","1.103","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122800","10.982","0.003","40.431","0.01","8.0776","0.0018","90","","132.593","0.004","90","","2640.4","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H27 B N2 -","- C36 H27 B N2 -","- C144 H108 B4 N8 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","0.71073","MoKα","","0.0507","0.0418","","","0.0924","0.0974","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122801","18.884","0.012","10.814","0.007","27.811","0.018","90","","90.185","0.01","90","","5679","6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 F3 N2 O3 P3 S -","- C21 H40 F3 N2 O3 P3 S -","- C168 H320 F24 N16 O24 P24 S8 -","8","2","","Robertson, Alasdair P. M.; Dyker, C. Adam; Gray, Paul A.; Patrick, Brian O.; Decken, Andreas; Burford, Neil","Diverse Reactivity of the cyclo-Diphosphinophosphonium Cation [(PtBu)3Me](+): Parallels with Epoxides and New catena-Phosphorus Frameworks.","Journal of the American Chemical Society","2014","136","42","14941","14950","10.1021/ja507741s","","x-ray","0.71073","MoKα","","0.0449","0.0399","","","0.0929","0.0953","","","","","","1.071","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122802","11.385","0.006","14.133","0.007","17.412","0.008","90","","100.007","0.008","90","","2759","2","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F6 O6 P4 S2 -","- C14 H30 F6 O6 P4 S2 -","- C56 H120 F24 O24 P16 S8 -","4","1","","Robertson, Alasdair P. M.; Dyker, C. Adam; Gray, Paul A.; Patrick, Brian O.; Decken, Andreas; Burford, Neil","Diverse Reactivity of the cyclo-Diphosphinophosphonium Cation [(PtBu)3Me](+): Parallels with Epoxides and New catena-Phosphorus Frameworks.","Journal of the American Chemical Society","2014","136","42","14941","14950","10.1021/ja507741s","","x-ray","0.71073","MoKα","","0.0685","0.0369","","","0.0819","0.0882","","","","","","1.01","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122803","9.6018","0.0005","9.3773","0.0005","11.5356","0.0006","90","","92.6341","0.0007","90","","1037.56","0.09","88","2","88","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0397","0.0367","","","0.0917","0.0939","","","","","","1.042","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122804","6.1199","0.0004","10.7129","0.0007","23.8191","0.0015","90","","90","","90","","1561.62","0.17","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0608","0.0505","","","0.1037","0.1096","","","","","","1.05","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122805","15.8595","0.0011","11.0683","0.0008","13.0301","0.0009","90","","90.8344","0.0009","90","","2287","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0529","0.045","","","0.125","0.1306","","","","","","1.061","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122806","16.686","0.0008","11.0565","0.0005","12.9454","0.0006","90","","105.515","0.0006","90","","2301.26","0.19","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0564","0.0422","","","0.1007","0.1085","","","","","","1.033","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122807","27.1914","0.0002","64.5676","0.0006","59.3556","0.0012","90","","92.701","0.001","90","","104094","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C688 H1107 Dy19 N104 O190 -","- C688 H1021 Dy19 N104 O190 -","- C2752 H4084 Dy76 N416 O760 -","4","1","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1841","0.1061","","","0.3052","0.3682","","","","","","1.002","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122808","52.1542","0.001","44.1877","0.001","50.9434","0.0008","90","","112.332","0.002","90","","108597","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C652 H959 Dy19 N96 O172 -","- C652 H943 Dy19 N96 O172.04 -","- C2608 H3772 Dy76 N384 O688.16 -","4","0.5","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1121","0.0773","","","0.2112","0.2296","","","","","","1.012","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122809","45.6636","0.0006","45.6636","0.0006","151.631","0.003","90","","90","","120","","273816","7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C660 H988 Dy19 N96 O162.5 -","- C660 H967.01 Dy19 N96 O162.47 -","- C7920 H11604.1 Dy228 N1152 O1949.64 -","12","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1449","0.1043","","","0.2847","0.3124","","","","","","1.268","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122810","39.2443","0.0011","39.2443","0.0011","26.2023","0.0008","90","","90","","120","","34948.1","1.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C347 H485 Dy12 N48 O83 -","- C346.86 H427.623 Dy12 N48 O76.2496 -","- C1040.58 H1282.87 Dy36 N144 O228.749 -","3","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","0.71073","MoKα","","0.091","0.0642","","","0.1674","0.1852","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122811","10.0282","0.0008","12.0996","0.0011","14.7064","0.0012","90","","90","","90","","1784.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl I N O3 P -","- C17 H18 Cl I N O3 P -","- C68 H72 Cl4 I4 N4 O12 P4 -","4","1","","Toda, Yasunori; Pink, Maren; Johnston, Jeffrey N.","Brønsted Acid catalyzed phosphoramidic Acid additions to alkenes: diastereo- and enantioselective halogenative cyclizations for the synthesis of C- and p-chiral phosphoramidates.","Journal of the American Chemical Society","2014","136","42","14734","14737","10.1021/ja5088584","","","0.71073","MoKα","","0.0231","0.0204","","","0.0393","0.0399","","","","","","1.058","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122812","16.362","0.003","19.9","0.003","32.189","0.005","89.736","0.009","77.79","0.008","80.239","0.009","10090","3","100","","100.28","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H240 Au24 S16 -","- C160 H240 Au24 S16 -","- C320 H480 Au48 S32 -","2","1","","Crasto, David; Barcaro, Giovanni; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Dass, Amala","Au24(SAdm)16 Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au23(SAdm)16 and Au25(SAdm)16, and Its Relation to Au25(SR)18.","Journal of the American Chemical Society","2014","136","42","14933","14940","10.1021/ja507738e","","x-ray","0.71073","MoKα","K-L~3~","0.0902","0.0519","","","0.1646","0.1797","","","","","","1.047","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122813","10.5769","0.0016","15.839","0.002","16.025","0.002","109.034","0.0019","102.164","0.002","108.021","0.002","2263.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H16 Al F36 O4 S2 -","- C38 H16 Al F36 O4 S2 -","- C76 H32 Al2 F72 O8 S4 -","2","1","","Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping","Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.","Journal of the American Chemical Society","2014","136","42","14666","14669","10.1021/ja507918c","","","0.71073","MoKα","","0.0739","0.0592","","","0.1733","0.2024","","","","","","1.015","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122814","18.1584","0.0016","20.0734","0.0017","54.656","0.005","90","","94.057","0.002","90","","19872","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C155.54 H71.07 Al4 Cl7.07 F144 O16 S4 Se4 -","- C155.541 H71.082 Al4 Cl7.082 F144 O16 S4 Se4 -","- C622.164 H284.328 Al16 Cl28.328 F576 O64 S16 Se16 -","4","1","","Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping","Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.","Journal of the American Chemical Society","2014","136","42","14666","14669","10.1021/ja507918c","","","0.71073","MoKα","","0.2132","0.1385","","","0.3858","0.4302","","","","","","1.416","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122815","10.8535","0.0002","11.216","0.0002","16.7367","0.0003","91.474","0.002","101.653","0.002","118.93","0.002","1728.21","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55.86 B Br0.07 Co P3 -","- C36 H55.868 B Br0.066 Co P3 -","- C72 H111.736 B2 Br0.132 Co2 P6 -","2","1","","Gunderson, William A.; Suess, Daniel L. M.; Fong, Henry; Wang, Xiaoping; Hoffmann, Christina M.; Cutsail Iii, George E.; Peters, Jonas C.; Hoffman, Brian M.","Free H2 Rotation vs Jahn-Teller Constraints in the Nonclassical Trigonal (TPB)Co-H2 Complex.","Journal of the American Chemical Society","2014","136","42","14998","15009","10.1021/ja508117h","","","1","neutron","","0.0664","0.0664","","","0.1288","0.1288","","","","","","1.115","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122816","6.97471","0.00013","15.5811","0.0003","15.7189","0.0003","90","","92.442","0.0007","90","","1706.68","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu F5 N2 -","- C20 H12 Cu F5 N2 -","- C80 H48 Cu4 F20 N8 -","4","1","","Saijo, Hiroki; Ohashi, Masato; Ogoshi, Sensuke","Fluoroalkylcopper(I) complexes generated by the carbocupration of tetrafluoroethylene: construction of a tetrafluoroethylene-bridging structure.","Journal of the American Chemical Society","2014","136","43","15158","15161","10.1021/ja5093776","","","1.54187","CuKα","","","0.0355","","","","0.0928","","","","","","1.126","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122817","9.2786","0.0011","8.7907","0.0012","18.68","0.003","90","","101.237","0.004","90","","1494.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Cl N3 O4 -","- C11 H20 Cl N3 O4 -","- C44 H80 Cl4 N12 O16 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0333","0.0299","","","0.0808","0.083","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122818","12.0535","0.0013","7.1631","0.0007","9.0112","0.0009","90","","92.403","0.007","90","","777.35","0.14","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","1.54178","CuKα","","0.0395","0.0376","","","0.0935","0.095","","","","","","1.112","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122819","5.6142","0.0005","12.7026","0.0008","12.0019","0.0008","90","","95.341","0.003","90","","852.2","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RRVI N oxide diol","3-(N,N-diethylamine)-propan-1,2-diol-N-oxide","","- C7 H17 N O3 -","- C7 H17 N O3 -","- C28 H68 N4 O12 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","x-ray","0.71073","MoKα","K-L~3~","0.0383","0.0324","","","0.0846","0.0872","","","","","","1.044","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122820","10.0808","0.0012","10.94","0.0013","17.225","0.002","90","","94.659","0.002","90","","1893.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Br N2 O5 -","- C17 H27 Br N2 O5 -","- C68 H108 Br4 N8 O20 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0338","0.0266","","","0.0576","0.0602","","","","","","1.051","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122821","12.5877","0.0003","13.9945","0.0004","13.4289","0.0004","90","","92.471","0.002","90","","2363.42","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl F6 N12 O5 -","- C16 H19 Cl F6 N12 O5 -","- C64 H76 Cl4 F24 N48 O20 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0767","0.0417","","","0.087","0.0992","","","","","","1.012","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122822","24.4088","0.0015","6.4226","0.0004","16.4976","0.001","90","","107.496","0.002","90","","2466.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O4 P2 -","- C28 H28 O4 P2 -","- C112 H112 O16 P8 -","4","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0331","0.0289","","","0.0799","0.0834","","","","","","1.032","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122823","22.001","0.003","6.2497","0.0017","21.876","0.004","90","","94.39","0.006","90","","2999.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 P2 -","- C32 H40 N4 P2 -","- C128 H160 N16 P8 -","4","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0455","0.0357","","","0.0794","0.0845","","","","","","1.078","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122824","10.008","0.0007","9.9556","0.0007","12.4143","0.0009","90","","112.631","0.002","90","","1141.67","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P2 -","- C28 H28 P2 -","- C56 H56 P4 -","2","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0338","0.0289","","","0.0716","0.0754","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122825","5.1968","0.0002","5.1968","0.0002","13.9363","0.0005","90","","90","","120","","325.95","0.02","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Sc -","- Fe O3 Sc -","- Fe6 O18 Sc6 -","6","0.333333","","Kawamoto, Takahiro; Fujita, Koji; Yamada, Ikuya; Matoba, Tomohiko; Kim, Sung Joo; Gao, Peng; Pan, Xiaoqing; Findlay, Scott D.; Tassel, Cédric; Kageyama, Hiroshi; Studer, Andrew J.; Hester, James; Irifune, Tetsuo; Akamatsu, Hirofumi; Tanaka, Katsuhisa","Room-Temperature Polar Ferromagnet ScFeO3 Transformed from a High-Pressure Orthorhombic Perovskite Phase.","Journal of the American Chemical Society","2014","136","43","15291","15299","10.1021/ja507958z","powder diffraction","","0.41912","","","0.00635","","","","","","0.00633","0.01306","0.7877","","","","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122826","9","0.0018","15","0.003","17","0.003","83","0.03","77","0.03","87","0.03","2218.8","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Mg2 N4 O16 -","- C102 H88 Mg2 N4 O16 -","- C102 H88 Mg2 N4 O16 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.0498","0.0409","","","0.1076","0.114","","","","","","1.031","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122827","6","0.0012","7","0.0014","17.544","0.003","97.67","0.03","96.82","0.03","96","0.03","719.6","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 Ni O6 -","- C36 H34 N2 Ni O6 -","- C36 H34 N2 Ni O6 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.032","0.0294","","","0.0745","0.0758","","","","","","1.08","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122828","6","0.0012","7","0.0014","17.422","0.003","96.72","0.03","96.87","0.03","96","0.03","716.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Co N2 O6 -","- C36 H34 Co N2 O6 -","- C36 H34 Co N2 O6 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0773","0.0785","","","","","","1.087","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122829","16.1791","0.0013","9.7736","0.0008","16.939","0.0013","90","","92.285","0.002","90","","2676.4","0.4","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H33 Cl2 Co N3 O -","- C29 H33 Cl2 Co N3 O -","- C116 H132 Cl8 Co4 N12 O4 -","4","2","","Zhang, Lei; Zuo, Ziqing; Wan, Xiaolong; Huang, Zheng","Cobalt-catalyzed enantioselective hydroboration of 1,1-disubstituted aryl alkenes.","Journal of the American Chemical Society","2014","136","44","15501","15504","10.1021/ja5093908","","","0.71073","MoKα","","0.0862","0.0516","","","0.0993","0.1198","","","","","","0.984","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122830","14.2134","0.0005","22.5695","0.0008","16.1066","0.0006","90","","95.976","0.001","90","","5138.7","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl(C2Cl5)(CNArMes2)2","","","- C54 H54 Cl6 N2 Ni O0.5 -","- C54 H54 Cl6 N2 Ni O0.5 -","- C216 H216 Cl24 N8 Ni4 O2 -","4","1","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0555","0.0404","","","0.1","0.108","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122831","12.3698","0.001","14.649","0.0012","16.2882","0.0014","69.508","0.003","70.124","0.003","68.086","0.003","2489.4","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","NiCl2(CNArMes2)2","","","- C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 -","- C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 -","- C116.5 H118.75 Cl4 F2.25 N4 Ni2 O0.75 -","2","1","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0943","0.0473","","","0.0918","0.1055","","","","","","1.003","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122832","17.0333","0.0009","12.9995","0.0008","29.635","0.0019","90","","105.552","0.0017","90","","6321.7","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pd(eta2-C2Cl4)(CNArDipp2)2","","","- C71.5 H92 Cl4 N2 Pd -","- C64 H74 Cl4 N2 Pd -","- C256 H296 Cl16 N8 Pd4 -","4","0.5","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0672","0.0439","","","0.0939","0.1009","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122833","5.7265","0.0002","12.1931","0.0003","22.4695","0.0005","90","","90","","90","","1568.91","0.08","90","2","90.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Soldi, Cristian; Lamb, Kellan N.; Squitieri, Richard A.; González-López, Marcos; Di Maso, Michael J.; Shaw, Jared T.","Enantioselective intramolecular C-h insertion reactions of donor-donor metal carbenoids.","Journal of the American Chemical Society","2014","136","43","15142","15145","10.1021/ja508586t","","","1.54178","CuKα","","0.0362","0.0314","","","0.0729","0.075","","","","","","1.085","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122834","8.5218","0.0004","11.618","0.0005","17.0886","0.0007","87.451","0.001","83.151","0.001","81.44","0.001","1660.48","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Tlais, Sami F.; Danheiser, Rick L.","N-tosyl-3-azacyclohexyne. Synthesis and chemistry of a strained cyclic ynamide.","Journal of the American Chemical Society","2014","136","44","15489","15492","10.1021/ja509055r","","","0.71073","MoKα","","0.0473","0.0367","","","0.0902","0.0973","","","","","","1.031","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122835","8.8244","0.0012","10.6363","0.0015","17.548","0.002","95.353","0.002","96.262","0.002","111.638","0.002","1505.9","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Co N2 O Si2 -","- C29 H42 Co N2 O Si2 -","- C58 H84 Co2 N4 O2 Si4 -","2","1","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0744","0.0486","","","0.1307","0.1632","","","","","","1.049","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122836","16.843","0.003","16.843","0.003","28.286","0.005","90","","90","","90","","8024","2","140","2","140","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C360 H464 Co8 N32 -","8","0.5","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0725","0.0377","","","0.0844","0.0997","","","","","","1.019","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122837","35.0267","0.0011","22.8219","0.0011","19.3509","0.0007","90","","103.123","0.002","90","","15064.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H70 B Co F24 N4 -","- C77 H70 B Co F24 N4 -","- C616 H560 B8 Co8 F192 N32 -","8","1","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.1215","0.0704","","","0.1753","0.2088","","","","","","1.076","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122838","12.0254","0.0016","17.359","0.002","21.162","0.003","110.953","0.003","94.896","0.003","102.582","0.002","3961.3","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C180 H232 Co4 N16 -","4","2","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.1293","0.0602","","","0.1369","0.1719","","","","","","0.954","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122839","15.7932","0.0016","13.3261","0.0013","10.5524","0.0011","90","","102.516","0.002","90","","2168.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br2 N O4 -","- C23 H19 Br2 N O4 -","- C92 H76 Br8 N4 O16 -","4","1","","Fukui, Yuki; Liu, Ping; Liu, Qiang; He, Zhi-Tao; Wu, Nuo-Yi; Tian, Ping; Lin, Guo-Qiang","Tunable Arylative Cyclization of 1,6-Enynes Triggered by Rhodium(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2014","136","44","15607","15614","10.1021/ja5072702","","","0.71073","MoKα","","0.069","0.0454","","","0.1077","0.1194","","","","","","1.02","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122840","12.17","0.003","16.366","0.004","7.4816","0.0018","90","","101.97","0.005","90","","1457.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Fukui, Yuki; Liu, Ping; Liu, Qiang; He, Zhi-Tao; Wu, Nuo-Yi; Tian, Ping; Lin, Guo-Qiang","Tunable Arylative Cyclization of 1,6-Enynes Triggered by Rhodium(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2014","136","44","15607","15614","10.1021/ja5072702","","","0.71073","MoKα","","0.0454","0.035","","","0.0819","0.0868","","","","","","1.04","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122841","12.945","0.002","7.1669","0.0013","14.497","0.003","90","","114.553","0.003","90","","1223.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Xu, Ren-Qi; Gu, Qing; Wu, Wen-Ting; Zhao, Zhuo-An; You, Shu-Li","Construction of Erythrinane Skeleton via Pd(0)-Catalyzed Intramolecular Dearomatization of para-Aminophenols.","Journal of the American Chemical Society","2014","136","44","15469","15472","10.1021/ja508645j","","","0.71073","MoKα","","0.0678","0.0552","","","0.1343","0.1443","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122842","18.063","0.003","11.0258","0.0016","20.374","0.003","90","","110.097","0.002","90","","3810.6","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B10 -","- C16 H22 B10 -","- C128 H176 B80 -","8","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.1021","0.0526","","","0.1222","0.1505","","","","","","1.013","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122843","10.3898","0.001","28.77","0.003","9.6471","0.001","90","","117.068","0.002","90","","2567.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 B10 O4 -","- C22 H30 B10 O4 -","- C88 H120 B40 O16 -","4","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0946","0.0634","","","0.1877","0.2124","","","","","","1.092","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122844","6.6623","0.0004","11.3564","0.0007","12.8542","0.0008","69.376","0.001","75.686","0.001","78.945","0.001","876.07","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C26 H40 B20 O4 -","2","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0527","0.043","","","0.1158","0.1228","","","","","","1.041","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122845","9.3691","0.0007","9.8429","0.0008","13.8368","0.0011","73.574","0.002","82.746","0.002","76.124","0.002","1185.88","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H33 B10 Ir O3 S -","- C16 H33 B10 Ir O3 S -","- C32 H66 B20 Ir2 O6 S2 -","2","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0351","0.033","","","0.0899","0.0906","","","","","","1.195","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122846","11.116","0.003","16.755","0.004","9.432","0.003","90","","103.049","0.004","90","","1711.3","0.8","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.069","0.0423","","","0.1011","0.1155","","","","","","1.021","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122847","7.7043","0.0009","15.9073","0.0019","15.9426","0.0019","90","","90","","90","","1953.8","0.4","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.0493","0.0409","","","0.1143","0.1231","","","","","","1.011","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122848","18.731","0.002","8.154","0.001","19.066","0.002","90","","90","","90","","2912","0.6","125","2","125","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1525","0.0618","","","0.1068","0.1359","","","","","","1","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122849","12.2985","0.0019","7.9282","0.0012","13.998","0.002","90","","90.123","0.002","90","","1364.9","0.4","125","2","125","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 -","- C48 H24 -","- C96 H48 -","2","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1164","0.0577","","","0.1202","0.1426","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122850","21.4604","0.0015","21.6292","0.0015","22.0437","0.0017","88.052","0.002","64.744","0.002","60.903","0.003","7888.8","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","1","0.5","","Jin, Shan; Wang, Shuxin; Song, Yongbo; Zhou, Meng; Zhong, Juan; Zhang, Jun; Xia, Andong; Pei, Yong; Chen, Man; Li, Peng; Zhu, Manzhou","Crystal Structure and Optical Properties of the [Ag62S12(SBu(t))32](2+) Nanocluster with a Complete Face-Centered Cubic Kernel.","Journal of the American Chemical Society","2014","136","44","15559","15565","10.1021/ja506773d","","","0.71073","MoKα","","0.0655","0.0607","","","0.1505","0.1571","","","","","","1.066","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122854","10.4142","0.0004","22.9367","0.0007","13.8197","0.0007","90","","106.992","0.005","90","","3157","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 B2 Br2 Mn2 N4 O2 -","- C60 H88 B2 Br2 Mn2 N4 O2 -","- C120 H176 B4 Br4 Mn4 N8 O4 -","2","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0649","0.0426","","","0.0947","0.1068","","","","","","1.039","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122855","14.73","0.0002","17.6322","0.0002","26.2218","0.0004","90","","90","","90","","6810.39","0.16","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H41 B Cr N2 O6 -","- C34 H41 B Cr N2 O6 -","- C272 H328 B8 Cr8 N16 O48 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0419","0.0377","","0.0959","0.0934","0.0959","","","","","","1.0121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122856","18.1928","0.0001","8.7226","0.0001","19.6128","0.0001","90","","90","","90","","3112.33","0.04","150","","150","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C31 H36 B Mn N2 O5 -","- C31 H36 B Mn N2 O5 -","- C124 H144 B4 Mn4 N8 O20 -","4","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0251","0.0243","","0.0674","0.0667","0.0674","","","","","","0.9873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122857","10.5864","0.0002","16.1312","0.0004","20.7425","0.0005","69.554","0.002","78.5898","0.0019","85.9673","0.0018","3253.47","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 B N2 O6 Re -","- C32 H36 B N2 O6 Re -","- C128 H144 B4 N8 O24 Re4 -","4","2","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0317","0.0301","","0.0823","0.0807","0.0823","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122858","11.2399","0.0001","13.8423","0.0001","20.2363","0.0002","90","","90","","90","","3148.49","0.05","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C31 H36 B N2 O5 Re -","- C31 H36 B N2 O5 Re -","- C124 H144 B4 N8 O20 Re4 -","4","0.25","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0183","0.0183","","0.0483","0.0483","0.0483","","","","","","1.0251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122859","10.5899","0.0001","10.6149","0.0001","14.9425","0.0002","104.508","0.0005","93.2151","0.0006","99.4456","0.0006","1595.76","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H41 B Fe N2 O3 -","- C34 H41 B Fe N2 O3 -","- C68 H82 B2 Fe2 N4 O6 -","2","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0498","0.0393","","0.0962","0.0842","0.0962","","","","","","0.9136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122860","15.1999","0.0001","36.2208","0.0003","12.2597","0.0001","90","","105.802","0.0005","90","","6494.52","0.09","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 B Fe N2 O2 -","- C33 H41 B Fe N2 O2 -","- C264 H328 B8 Fe8 N16 O16 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0534","0.039","","0.1087","0.0928","0.1087","","","","","","0.9342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122861","10.7633","0.0002","17.1573","0.0004","19.4817","0.0004","90","","98.4399","0.0019","90","","3558.71","0.13","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Fe N2 O2 S -","- C37 H48 B Fe N2 O2 S -","- C148 H192 B4 Fe4 N8 O8 S4 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0553","0.0493","","0.1352","0.1298","0.1352","","","","","","0.9902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122862","14.1205","0.0004","13.8672","0.0004","14.9082","0.0004","90","","98.874","0.003","90","","2884.26","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 B Co3 O10 -","- C28 H22 B Co3 O10 -","- C112 H88 B4 Co12 O40 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0543","0.0393","","0.098","0.089","0.0979","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122863","10.3904","0.0001","16.1108","0.0001","27.8515","0.0003","90","","98.9535","0.0004","90","","4605.47","0.07","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B Co N2 O3 P -","- C47 H51 B Co N2 O3 P -","- C188 H204 B4 Co4 N8 O12 P4 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0847","0.051","","0.1432","0.1138","0.1432","","","","","","0.9829","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122864","7.632","0.0002","7.9748","0.0002","17.8334","0.0005","90","","90","","90","","1085.41","0.05","100","","100","","","","","","","","see paper","3","P 21 21 21","P 2ac 2ab","19","","Title","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.031","0.0291","","","0.0705","0.0714","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122865","8.7417","0.0005","18.3901","0.0009","21.568","0.0011","90","","90","","90","","3467.3","0.3","100","","100","","","","","","","","dichloromethane,diethylether","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C34 H53 N O9 -","- C34 H53 N O9 -","- C136 H212 N4 O36 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.0284","0.0274","","","0.0666","0.0673","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122866","24.4345","0.0015","25.6731","0.0016","28.6611","0.0017","82.922","0.003","66.366","0.004","72.449","0.003","15704.5","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H172.5 F48 Fe4 N24.5 P8 -","- C256 H172.5 F48 Fe4 N24.5 P8 -","- C512 H345 F96 Fe8 N49 P16 -","2","1","","Ronson, Tanya K.; League, Aaron B.; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Pyrene-Edged Fe(II)4L6 Cages Adaptively Reconfigure During Guest Binding.","Journal of the American Chemical Society","2014","136","44","15615","15624","10.1021/ja507617h","","","0.6889","synchrotron","","0.1417","0.1016","","","0.2795","0.3111","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122867","15.839","0.004","25.104","0.005","25.353","0.005","70.598","0.003","88.362","0.003","89.674","0.003","9504","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C276 H394 F54 N18 O108 Rh18 S18 -","- C268 H306 F42 N18 O90 Rh18 S14 -","- C268 H306 F42 N18 O90 Rh18 S14 -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.2","0.1237","","","0.3392","0.383","","","","","","1.124","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122868","18.8903","0.0019","19.91","0.002","24.123","0.003","100.142","0.002","95.751","0.002","95.281","0.002","8830.2","1.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C274 H398 F24 N28 O104 Rh18 S8 -","- C260 H300 F18 N28 O86 Rh18 S6 -","- C260 H300 F18 N28 O86 Rh18 S6 -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.1072","0.0728","","","0.2054","0.2456","","","","","","0.886","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122869","16.6973","0.0012","17.2047","0.0012","17.8926","0.0013","65.351","0.001","71.501","0.001","62.58","0.001","4096.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H64 F18 Ir3 K3 N8 O22 S6 -","- C56 H61 F18 Ir3 K3 N8 O22 S6 -","- C112 H122 F36 Ir6 K6 N16 O44 S12 -","2","1","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0527","0.0355","","","0.0846","0.1163","","","","","","1.107","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122870","11.8675","0.0012","17.6975","0.0017","20.619","0.002","113.598","0.001","91.896","0.001","98.774","0.002","3900.7","0.7","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C110 H128 F30 K2 N16 O38 Rh6 S10 Zn -","- C110 H122 F30 K2 N16 O38 Rh6 S10 Zn -","- C110 H122 F30 K2 N16 O38 Rh6 S10 Zn -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0902","0.0709","","","0.214","0.2468","","","","","","1.08","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122871","7.9644","0.0007","15.4104","0.0014","21.4544","0.0019","104.205","0.001","97.878","0.001","103.111","0.001","2433.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H61 Cl4 Li N3 O7 Rh3 -","- C42 H57 Cl4 Li N3 O6 Rh3 -","- C84 H114 Cl8 Li2 N6 O12 Rh6 -","2","1","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0432","0.0358","","","0.127","0.1435","","","","","","1.081","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122872","22.644","0.0015","22.644","0.0015","20.7045","0.0014","90","","90","","120","","9193.9","1.1","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C131 H180 F15 N16 O51 Rh9 S5 -","- C126 H156 N16 O24 Rh9 -","- C252 H312 N32 O48 Rh18 -","2","0.333333","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0675","0.0486","","","0.1264","0.1373","","","","","","0.969","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122873","18.253","0.003","14.801","0.002","17.422","0.002","90","","90","","90","","4706.8","1.1","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0604","0.052","","","0.1396","0.143","","","","","","1.176","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122874","18.6572","0.0009","15.2008","0.0008","17.5964","0.0009","90","","90","","90","","4990.4","0.4","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.1155","0.0992","","","0.2348","0.2431","","","","","","1.229","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122875","18.3266","0.0015","14.898","0.0011","17.4326","0.0014","90","","90","","90","","4759.6","0.6","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0715","0.0656","","","0.1806","0.184","","","","","","1.161","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122876","18.843","0.003","15.396","0.002","17.67","0.003","90","","90","","90","","5126.2","1.4","180","2","180","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0691","0.0595","","","0.1642","0.1737","","","","","","1.069","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122877","18.5561","0.0017","15.1628","0.0013","17.78","0.0016","90","","90","","90","","5002.6","0.8","200","2","200","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0685","0.0649","","","0.1807","0.1828","","","","","","1.183","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122900","16.9594","0.0002","12.7408","0.0002","7.244","0.0001","90","","94.125","0.001","90","","1561.2","0.04","173","2","172.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B F2 N4 O -","- C18 H13 B F2 N4 O -","- C72 H52 B4 F8 N16 O4 -","4","1","","Yang, Yin; Hughes, Russell P.; Aprahamian, Ivan","Near-infrared light activated azo-BF2 switches.","Journal of the American Chemical Society","2014","136","38","13190","13193","10.1021/ja508125n","","","1.54178","CuKα","","0.0372","0.0315","","","0.0877","0.0923","","","","","","1.037","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122901","17.6056","0.0013","13.5354","0.001","7.3372","0.0005","90","","100.304","0.001","90","","1720.2","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 B F2 N5 -","- C19 H16 B F2 N5 -","- C76 H64 B4 F8 N20 -","4","1","","Yang, Yin; Hughes, Russell P.; Aprahamian, Ivan","Near-infrared light activated azo-BF2 switches.","Journal of the American Chemical Society","2014","136","38","13190","13193","10.1021/ja508125n","","","0.71073","MoKα","","0.0538","0.0365","","","0.0874","0.0954","","","","","","1.05","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122902","20.291","0.003","10.2096","0.0016","17.982","0.003","90","","100.078","0.004","90","","3667.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 P3 Ru -","- C45 H43 P3 Ru -","- C180 H172 P12 Ru4 -","4","1","","vom Stein, Thorsten; Meuresch, Markus; Limper, Dominik; Schmitz, Marc; Hölscher, Markus; Coetzee, Jacorien; Cole-Hamilton, David J; Klankermayer, Jürgen; Leitner, Walter","Highly versatile catalytic hydrogenation of carboxylic and carbonic acid derivatives using a Ru-triphos complex: molecular control over selectivity and substrate scope.","Journal of the American Chemical Society","2014","136","38","13217","13225","10.1021/ja506023f","","","0.71073","MoKα","","0.1051","0.0641","","","0.1246","0.141","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122903","10.4626","0.0005","12.8543","0.0006","18.3722","0.001","101.602","0.001","95.897","0.001","106.666","0.001","2284.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","2","","Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M","Autocatalytic fluorescence photoactivation.","Journal of the American Chemical Society","2014","136","39","13798","13804","10.1021/ja5068383","","","0.71073","MoKα","","0.0604","0.0467","","","0.117","0.1273","","","","","","1.024","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122904","8.6876","0.0004","14.2494","0.0007","9.2839","0.0005","90","","97.417","0.001","90","","1139.67","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M","Autocatalytic fluorescence photoactivation.","Journal of the American Chemical Society","2014","136","39","13798","13804","10.1021/ja5068383","","","0.71073","MoKα","","0.045","0.0386","","","0.0917","0.0975","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122905","11.7514","0.0004","16.2204","0.0005","19.154","0.0006","90","","100.142","0.003","90","","3593.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 B2 F12 Fe N6 -","- C37 H28 B2 F12 Fe N6 -","- C148 H112 B8 F48 Fe4 N24 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0347","0.0319","","","0.081","0.0828","","","","","","1.04","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122906","7.2422","0.0001","9.7575","0.0001","20.2541","0.0003","90","","90","","90","","1431.27","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Yeung, Charles S.; Ziegler, Robert E.; Porco, Jr, John A; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective addition of indoles to pyrones: alkaloid cores with quaternary carbons.","Journal of the American Chemical Society","2014","136","39","13614","13617","10.1021/ja508523g","","","1.54178","CuKα","","0.0233","0.0226","","","0.0537","0.0543","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122907","14.683","0.006","10.965","0.004","24.216","0.009","90","","90","","90","","3899","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H24 N4 S2 -","- C19 H24 N4 S2 -","- C152 H192 N32 S16 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1204","0.0726","","","0.1558","0.1774","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122908","11.1337","0.001","18.7761","0.0017","33.96","0.003","96.441","0.002","97.22","0.002","106.428","0.002","6673.5","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H74.5 B4 F16 Ir2 N8.5 O2 S4 -","- C52 H66 B3 F12 Ir2 N8 S4 -","- C208 H264 B12 F48 Ir8 N32 S16 -","4","2","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1122","0.0719","","","0.2102","0.2364","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122909","12.2748","0.0009","16.6642","0.0012","18.5597","0.0013","105.517","0.001","106.117","0.001","106.425","0.001","3242.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H78 Ir2 N12 O15 S4 -","- C55 H66 Ir2 N12 O15 S4 -","- C110 H132 Ir4 N24 O30 S8 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0565","0.0384","","","0.1152","0.1494","","","","","","1.072","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122910","12.2035","0.001","17.833","0.0015","19.246","0.003","105.581","0.002","97.204","0.002","109.42","0.001","3697.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 F12 Ir2 N8 O14 S8 -","- C57 H66 F12 Ir2 N8 O13 S8 -","- C114 H132 F24 Ir4 N16 O26 S16 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0771","0.0582","","","0.1685","0.1915","","","","","","1.033","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122911","12.188","0.0009","17.8414","0.0013","19.1883","0.0014","69.735","0.001","83.044","0.001","70.324","0.001","3685.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 F12 N8 O14 Rh2 S8 -","- C57 H66 F12 N8 O13 Rh2 S8 -","- C114 H132 F24 N16 O26 Rh4 S16 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0728","0.0556","","","0.1797","0.2164","","","","","","1.022","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122912","16.7688","0.001","29.1467","0.0018","16.8413","0.001","90","","115.984","0.001","90","","7399.2","0.8","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cl2 F6 Ir2 N8 O6 S6 -","- C60 H78 Cl2 F6 Ir2 N8 O6 S6 -","- C240 H312 Cl8 F24 Ir8 N32 O24 S24 -","4","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0236","0.0201","","","0.0569","0.0598","","","","","","1.087","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122913","12.2074","0.0008","12.2637","0.0008","15.7816","0.0011","98.588","0.001","96.339","0.001","108.62","0.001","2182.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H96 F12 Ir2 N10 O14 S8 -","- C74 H96 F12 Ir2 N10 O14 S8 -","- C74 H96 F12 Ir2 N10 O14 S8 -","1","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0696","0.0538","","","0.1661","0.2063","","","","","","1.135","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122914","14.1913","0.0009","27.0778","0.0018","20.2418","0.0013","90","","106.483","0.001","90","","7458.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 F12 Ir2 N8 O14 S8 -","- C58 H66 F12 Ir2 N8 O14 S8 -","- C232 H264 F48 Ir8 N32 O56 S32 -","4","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0442","0.031","","","0.0776","0.0818","","","","","","1.042","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122915","34.139","0.014","11.739","0.005","35.255","0.014","90","","108.581","0.006","90","","13392","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 F12 Ir2 N8 O12 S8 -","- C45 H62 F9 Ir2 N8 O9 S7 -","- C360 H496 F72 Ir16 N64 O72 S56 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.086","0.0397","","","0.0779","0.0824","","","","","","0.75","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122916","12.3964","0.0009","21.3342","0.0016","16.4768","0.0012","90","","99.555","0.001","90","","4297.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 F12 Ir2 N8 O16 S8 -","- C72 H74 F12 Ir2 N8 O12 S8 -","- C144 H148 F24 Ir4 N16 O24 S16 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.052","0.0356","","","0.0907","0.0964","","","","","","1.028","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122917","11.3564","0.001","27.465","0.003","13.0954","0.0012","90","","104.866","0.002","90","","3947.8","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 F12 Ir2 N8 O18 S8 -","- C56 H66 F12 Ir2 N8 O12 S8 -","- C112 H132 F24 Ir4 N16 O24 S16 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0772","0.0476","","","0.136","0.1563","","","","","","0.887","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122918","14.749","0.0012","15.4204","0.0013","22.4129","0.0018","86.922","0.001","72.937","0.002","83.271","0.002","4838.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H114 Ir2 N18 O19 S6 -","- C75 H98 Ir2 N17 O12 S6 -","- C150 H196 Ir4 N34 O24 S12 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1099","0.0578","","","0.1454","0.1837","","","","","","0.942","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122919","20.923","0.003","21.606","0.003","24.564","0.004","71.189","0.002","73.194","0.002","85.738","0.002","10060","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H105 Cl F12 Ir2 N12 O16.25 S10 -","- C78 H90 Cl F12 Ir2 N12 O16.25 S10 -","- C312 H360 Cl4 F48 Ir8 N48 O65 S40 -","4","2","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1433","0.0964","","","0.2684","0.3046","","","","","","1.056","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122920","7.4415","0.0011","12.3336","0.0019","13.172","0.002","90","","91.17","0.002","90","","1208.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H33 F3 Ir2 O3 S -","- C21 H33 F3 Ir2 O3 S -","- C42 H66 F6 Ir4 O6 S2 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0245","0.0167","","","0.0372","0.0393","","","","","","1.085","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122921","15.7876","0.0013","16.5051","0.0014","24.296","0.002","80.297","0.001","78.457","0.001","65.489","0.001","5617.9","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H128 F12 Ir2 N12 O17 S10 -","- C87 H112 F12 Ir2 N12 O15 S10 -","- C174 H224 F24 Ir4 N24 O30 S20 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1078","0.0675","","","0.1919","0.234","","","","","","0.98","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122922","19.579","0.007","20.736","0.008","28.869","0.011","90","","96.224","0.005","90","","11651","8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H124 F12 Ir2 N12 O23 S10 -","- C89 H96 F9 Ir2 N12 O11 S9 -","- C356 H384 F36 Ir8 N48 O44 S36 -","4","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0989","0.0489","","","0.1085","0.1178","","","","","","0.795","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122923","4.9777","0.0004","9.2119","0.0007","21.6756","0.0018","90","","90","","90","","993.91","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZW05163","toste107","","- C10 H10 Br F O -","- C10 H10 Br F O -","- C40 H40 Br4 F4 O4 -","4","1","","Zi, Weiwei; Wang, Yi-Ming; Toste, F. Dean","An in situ directing group strategy for chiral anion phase-transfer fluorination of allylic alcohols.","Journal of the American Chemical Society","2014","136","37","12864","12867","10.1021/ja507468u","","","1.54178","CuKα","","0.1288","0.1034","","","0.2596","0.2816","","","","","","1.066","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122924","10.7782","0.0006","12.1739","0.0006","17.5944","0.001","72.345","0.003","89.877","0.003","80.812","0.003","2169","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cl2 N5 O5 Rh -","- C47 H48 Cl2 N5 O5 Rh -","- C94 H96 Cl4 N10 O10 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0499","0.0372","","","0.0859","0.0919","","","","","","1.055","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122925","9.1633","0.0011","15.4046","0.0019","16.791","0.002","110.881","0.002","94.61","0.002","105.705","0.002","2090.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 Cl2 N5 O3 Rh -","- C45 H48 Cl2 N5 O3 Rh -","- C90 H96 Cl4 N10 O6 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0387","0.0308","","","0.0703","0.075","","","","","","1.112","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122926","9.6145","0.0008","15.7645","0.0013","16.8583","0.0014","64.434","0.004","85.049","0.004","73.491","0.004","2208","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Cl2 N6 O5 Rh -","- C45.998 H46.994 Cl2 N6 O4.999 Rh -","- C91.996 H93.988 Cl4 N12 O9.998 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0468","0.0418","","","0.105","0.111","","","","","","1.12","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122927","9.4383","0.0004","25.4636","0.001","16.6094","0.0006","90","","96.746","0.002","90","","3964.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 Cl2 N8 O3 Rh -","- C42 H43 Cl2 N8 O3 Rh -","- C168 H172 Cl8 N32 O12 Rh4 -","4","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0371","0.0284","","","0.0641","0.0677","","","","","","1.035","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122928","13.3281","0.0002","8.6447","0.0001","16.5817","0.0003","90","","110.91","0.001","90","","1784.68","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","1.54178","CuKα","","0.0472","0.0452","","","0.1205","0.1225","","","","","","1.053","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122929","11.1819","0.0007","8.2935","0.0005","18.6856","0.0012","90","","92.4596","0.0008","90","","1731.25","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.053","0.0404","","","0.0962","0.104","","","","","","1.048","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122930","8.8571","0.0006","26.3976","0.0017","8.4439","0.0005","90","","110.755","0.0008","90","","1846.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.0598","0.0441","","","0.1098","0.1193","","","","","","1.041","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122931","29.7494","0.0013","11.8562","0.0005","16.1391","0.0007","90","","114.441","0.001","90","","5182.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N O -","- C34 H31 N O -","- C272 H248 N8 O8 -","8","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.0779","0.044","","","0.0984","0.1163","","","","","","1.024","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122932","10.6991","0.0002","16.9663","0.0002","18.5203","0.0003","90","","105.031","0.0005","90","","3246.86","0.09","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 O3 -","- C42 H40 O3 -","- C168 H160 O12 -","4","0.5","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","1.54178","CuKα","","0.036","0.0352","","","0.0876","0.0882","","","","","","1.046","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123035","12.082","0.0004","14.092","0.0004","23.209","0.001","95.839","0.0011","92.629","0.0011","102.239","0.002","3832.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","moris371","","","- C66 H90 N6 Si6 Th -","- C66 H114 N6 Si6 Th -","- C132 H228 N12 Si12 Th2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.1691","0.0849","","","0.173","0.2008","","","","","","1.06","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123036","12.044","0.0002","14.056","0.0003","23.188","0.0004","95.588","0.0018","92.653","0.0015","102.178","0.0008","3809.92","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","moris372","","","- C66 H90 N6 Si6 U -","- C66 H114 N6 Si6 U -","- C132 H228 N12 Si12 U2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0799","0.0545","","","0.1384","0.1526","","","","","","1.073","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123037","21.675","0.0008","12.284","0.0011","20.007","0.0014","90","","99.745","0.004","90","","5250.1","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris379","","","- C39 H78 N6 Si6 U -","- C39 H78 N6 Si6 U -","- C156 H312 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0522","0.035","","","0.0788","0.0837","","","","","","1.023","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123038","21.675","0.0008","12.284","0.0011","20.007","0.0014","90","","99.745","0.004","90","","5250.1","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris380","","","- C39 H78 N6 Si6 Th -","- C39 H78 N6 Si6 Th -","- C156 H312 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.1047","0.0701","","","0.0951","0.1029","","","","","","1.142","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123039","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris382","","","- C29 H74 N6 Si6 U -","- C29 H74 N6 Si6 U -","- C116 H296 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0407","0.0351","","","0.0713","0.0728","","","","","","1.124","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123040","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris383","","","- C29 H74 N6 Si6 Th -","- C29 H74 N6 Si6 Th -","- C116 H296 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0494","0.0423","","","0.0608","0.0622","","","","","","1.164","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4127282","4.01245","0.00007","4.01245","0.00007","4.01245","0.00007","90","","90","","90","","64.599","0.002","300","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- F3 Sc -","- F3 Sc -","- F3 Sc -","1","0.0208333","","Hu, Lei; Chen, Jun; Fan, Longlong; Ren, Yang; Rong, Yangchun; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran","Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga, Fe) over a wide temperature range","Journal of the American Chemical Society","2014","136","39","13566","13569","10.1021/ja5077487","","","","","","","","","","","","","","","","","","","","","has coordinates","256727","2020-10-21","18:00:00",""
"4129244","11.2246","0.0004","13.3972","0.0004","20.0794","0.0006","72.726","0.001","74.475","0.001","86.383","0.002","2777.67","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C120 H128 N16 O24 -","4","2","","Nitsch, Dominik; Huber, Stefan M.; Pöthig, Alexander; Narayanan, Arjun; Olah, George A.; Prakash, G. K. Surya; Bach, Thorsten","Chiral propargylic cations as intermediates in SN1-type reactions: substitution pattern, nuclear magnetic resonance studies, and origin of the diastereoselectivity.","Journal of the American Chemical Society","2014","136","7","2851","2857","10.1021/ja411772n","","x-ray","0.71073","MoKα","","0.0404","0.0329","","","0.0799","0.0844","","","","","","1.012","","","","has coordinates","240014","2020-10-21","18:00:00",""
"4129245","10.3367","0.0003","11.7642","0.0003","12.4129","0.0009","91.596","0.007","111.824","0.008","96.479","0.007","1388.32","0.14","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Br N2 O5 -","- C27 H31 Br N2 O5 -","- C54 H62 Br2 N4 O10 -","2","1","","Mbofana, Curren T.; Miller, Scott J.","Diastereo- and enantioselective addition of anilide-functionalized allenoates to N-acylimines catalyzed by a pyridylalanine-based peptide.","Journal of the American Chemical Society","2014","136","8","3285","3292","10.1021/ja412996f","","","1.54178","CuKα","","0.0675","0.0602","","","0.1685","0.1782","","","","","","1.109","","","","has coordinates,has disorder","240016","2020-10-21","18:00:00",""
"4129246","20.2148","0.0012","15.337","0.0008","22.5133","0.0011","90","","107.266","0.002","90","","6665.4","0.6","100","2","100","2","","","","","","","see text","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 Cu2 F6 N7 O6 P S2 -","- C56 H76 Cu2 F6 N7 O6 P S2 -","- C224 H304 Cu8 F24 N28 O24 P4 S8 -","4","0.5","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","x-ray","0.71073","MoKα","","0.0783","0.0666","","","0.2009","0.2104","","","","","","1.032","","","","has coordinates","240017","2020-10-21","18:00:00",""
"4129247","12.4071","0.0005","12.6841","0.0005","23.857","0.0009","98.235","0.002","98.559","0.002","106.927","0.002","3482","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","DF489","","- C64 H92 Ag2 F6 N7 O8 P S2 -","- C64 H92 Ag2 F6 N7 O8 P S2 -","- C128 H184 Ag4 F12 N14 O16 P2 S4 -","2","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.0563","0.0485","","","0.1315","0.1355","","","","","","1.057","","","","has coordinates","240017","2020-10-21","18:00:00",""
"4129248","20.6834","0.0012","25.1597","0.0016","24.6629","0.0012","90","","112.552","0.002","90","","11852.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H160 Cu F3 N14 O4 P2 S -","- C113 H160 Cu F3 N14 O4 P2 S -","- C452 H640 Cu4 F12 N56 O16 P8 S4 -","4","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.1197","0.0763","","","0.2114","0.2316","","","","","","1.067","","","","has coordinates,has disorder","240017","2020-10-21","18:00:00",""
"4129249","20.956","0.002","25.095","0.003","24.505","0.003","90","","113.346","0.002","90","","11832","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C117 H168 Ag F3 N14 O5 P2 S -","- C117 H168 Ag F3 N14 O5 P2 S -","- C468 H672 Ag4 F12 N56 O20 P8 S4 -","4","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.1024","0.0642","","","0.161","0.1759","","","","","","1.046","","","","has coordinates,has disorder","240017","2020-10-21","18:00:00",""
"4129250","26.442","0.006","13.697","0.003","9.715","0.002","90","","107.328","0.004","90","","3358.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ubql14","","","- C17 H22 N2 O3.5 -","- C17 H22 N2 O3.5 -","- C136 H176 N16 O28 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.112","0.0758","","","0.1954","0.2199","","","","","","1.032","","","","has coordinates,has disorder","240018","2020-10-21","18:00:00",""
"4129251","18.5189","0.0017","6.1174","0.0006","21.937","0.003","90","","95.7725","0.0014","90","","2472.6","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","ubql12","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.079","0.0445","","","0.102","0.1172","","","","","","1.021","","","","has coordinates,has disorder","240019","2020-10-21","18:00:00",""
"4129252","19.837","0.003","19.837","0.003","21.423","0.003","90","","90","","90","","8430","2","100","0.5","100","0.5","","","","","","","","4","P 42/n :2","-P 4bc","86","neima07","","","- C80 H110 Fe P2 -","- C80 H110 Fe P2 -","- C320 H440 Fe4 P8 -","4","0.5","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0828","0.0613","","","0.1666","0.1845","","","","","","1.044","","","","has coordinates,has disorder","240020","2020-10-21","18:00:00",""
"4129253","17.196","0.002","23.437","0.003","19.421","0.002","90","","114.225","0.002","90","","7137.9","1.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neijk24","","","- C75 H109 Cl Fe O P2 -","- C75 H109 Cl Fe O P2 -","- C300 H436 Cl4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0993","0.0542","","","0.1266","0.1494","","","","","","1.011","","","","has coordinates,has disorder","240021","2020-10-21","18:00:00",""
"4129254","17.219","0.004","23.733","0.005","19.346","0.004","90","","113.739","0.004","90","","7237","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neima06","","","- C75 H109 Br Fe O P2 -","- C75 H109 Br Fe O P2 -","- C300 H436 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.1236","0.0601","","","0.1174","0.1408","","","","","","1.008","","","","has coordinates","240022","2020-10-21","18:00:00",""
"4129255","17.205","0.004","23.705","0.006","19.398","0.005","90","","113.906","0.005","90","","7233","3","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","neima05","","","- C75 H109 Br0.8 Cl0.2 Fe O P2 -","- C75 H109 Br0.796 Cl0.204 Fe O P2 -","- C300 H436 Br3.184 Cl0.816 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0951","0.0536","","","0.1186","0.1359","","","","","","1.019","","","","has coordinates,has disorder","240023","2020-10-21","18:00:00",""
"4129256","12.9284","0.0007","12.6055","0.0006","19.2797","0.0009","90","","100.02","0.002","90","","3094.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Mo O3 P2 -","- C33 H40 Mo O3 P2 -","- C132 H160 Mo4 O12 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.04","0.0313","","","0.0531","0.0544","","","","","","1.631","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129257","12.7866","0.0006","16.4447","0.0007","17.5292","0.0007","90","","91.785","0.002","90","","3684.1","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 F6 Mo O8 P2 S2 -","- C34 H40 F6 Mo O8 P2 S2 -","- C136 H160 F24 Mo4 O32 P8 S8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0619","0.0464","","","0.1251","0.1329","","","","","","1.13","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129258","32.0444","0.001","32.0444","0.001","21.1665","0.0009","90","","90","","120","","18822.8","1.2","100","","100","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C36.67 H46 F6 Mo N2.33 O6 P2 S2 -","- C36.6667 H46.9999 F6 Mo N2.33333 O6 P2 S2 -","- C660 H845.998 F108 Mo18 N42 O108 P36 S36 -","18","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0487","0.0371","","","0.0855","0.0909","","","","","","1.056","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129259","8.9892","0.0003","23.8655","0.0007","12.7797","0.0004","90","","94.7145","0.0016","90","","2732.38","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Mo N2 P2 -","- C30 H40 Mo N2 P2 -","- C120 H160 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0899","0.0492","","","0.0978","0.1151","","","","","","1.101","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129260","12.7883","0.0006","16.1757","0.0007","23.2443","0.001","90","","101.25","0.002","90","","4715.9","0.4","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 B Mo N P2 -","- C56 H64 B Mo N P2 -","- C224 H256 B4 Mo4 N4 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.1259","0.0731","","","0.1418","0.1777","","","","","","1.12","","","","has coordinates,has disorder","240024","2020-10-21","18:00:00",""
"4129261","11.1314","0.0005","17.1403","0.0008","26.9594","0.0012","90","","94.544","0.002","90","","5127.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 B Mo O P2 -","- C58 H71 B Mo O P2 -","- C232 H284 B4 Mo4 O4 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0726","0.0448","","","0.1007","0.1118","","","","","","1.092","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129262","6.2426","0.0004","7.7345","0.0005","25.5322","0.0016","90","","90","","90","","1232.78","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Hartung, John; Dornan, Peter K.; Grubbs, Robert H.","Enantioselective olefin metathesis with cyclometalated ruthenium complexes.","Journal of the American Chemical Society","2014","136","37","13029","13037","10.1021/ja506611k","","","0.71073","MoKα","","0.0314","0.0284","","","0.0729","0.0737","","","","","","1.528","","","","has coordinates","240025","2020-10-21","18:00:00",""
"4129263","10.303","0.0001","17.4632","0.0002","20.3423","0.0002","94.204","0.001","101.929","0.001","92.428","0.001","3565.17","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile)(μ^2^-buta-1,3-diyne-1,4-diyl)tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron(2+) diiodide acetonitrile solvate (1:3)","","- C54 H111 Fe2 I2 N5 P8 -","- C54 H111 Fe2 I2 N5 P8 -","- C108 H222 Fe4 I4 N10 P16 -","2","1","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.036","0.0271","","","0.0716","0.0736","","","","","","1.065","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129264","14.0211","0.0004","26.5865","0.0007","17.9536","0.0006","90","","111.308","0.003","90","","6235.1","0.3","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(nitrogen-κ<i>N</i>^1^)diiron(2+) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-)}","","- C108 H120 B2 F48 Fe2 N4 P8 -","- C108 H120 B2 F48 Fe2 N4 P8 -","- C216 H240 B4 F96 Fe4 N8 P16 -","2","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.1134","0.0582","","","0.1487","0.1627","","","","","","0.896","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129265","29.5938","0.0006","10.0002","0.0001","21.104","0.0004","90","","116.945","0.002","90","","5567.59","0.19","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}diethynyldiiron","","- C48 H98 Fe2 P8 -","- C48 H98 Fe2 P8 -","- C192 H392 Fe8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0544","0.0466","","","0.1417","0.1459","","","","","","1.055","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129266","19.0064","0.0003","18.7974","0.0004","19.7398","0.0003","90","","90.9394","0.0016","90","","7051.5","0.2","183","1","183","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H120 Fe2 P8 Sn2 -","- C60 H120 Fe2 P8 Sn2 -","- C240 H480 Fe8 P32 Sn8 -","4","1","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0799","0.0647","","","0.1661","0.1769","","","","","","1.088","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129267","10.0294","0.0007","19.4329","0.0007","18.4637","0.001","90","","96.994","0.005","90","","3571.8","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(selenocyanato-κ<i>N</i>)diiron benzene solvate (1:2)","","- C64 H114 Fe2 N2 P8 Se2 -","- C64 H114 Fe2 N2 P8 Se2 -","- C128 H228 Fe4 N4 P16 Se4 -","2","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0999","0.0628","","","0.1413","0.1682","","","","","","1.059","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129268","18.9951","0.0016","15.3883","0.0008","20.0151","0.0013","90","","90","","90","","5850.5","0.7","183","2","183","2","","","","","","","","6","C m c e","-C 2ac 2","64","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(thiocyanato-κ<i>N</i>)diiron","","- C46 H104 Fe2 N2 P8 S2 -","- C46 H104 Fe2 N2 P8 S2 -","- C184 H416 Fe8 N8 P32 S8 -","4","0.25","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.099","0.0667","","","0.1588","0.1779","","","","","","1.043","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129269","21.0545","0.0007","10.0187","0.0003","26.9455","0.0009","90","","107.922","0.004","90","","5408","0.3","183","2","183","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl)[bis(cyano-κ<i>C</i>)]tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron","","- C46 H96 Fe2 N2 P8 -","- C46 H96 Fe2 N2 P8 -","- C184 H384 Fe8 N8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0641","0.0556","","","0.1516","0.1596","","","","","","1.037","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129270","14.19","0.0011","19.2827","0.0012","20.1632","0.0015","90","","104.209","0.008","90","","5348.3","0.7","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}disulfanyldiiron","","- C44 H98 Fe2 P8 S2 -","- C44 H98 Fe2 P8 S2 -","- C176 H392 Fe8 P32 S8 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.1019","0.0537","","","0.1202","0.1467","","","","","","1.019","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129271","20.9315","0.0003","10.0246","0.0001","27.2939","0.0004","90","","108.157","0.002","90","","5441.9","0.14","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}dinitrodiiron","","- C44 H96 Fe2 N2 O4 P8 -","- C44 H96 Fe2 N2 O4 P8 -","- C176 H384 Fe8 N8 O16 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0375","0.033","","","0.083","0.086","","","","","","1.033","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""