# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T09:14:41+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Science') AND volume = 2 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
"1515411","9.5922","0.0005","7.2501","0.0004","24.0793","0.0012","90","","95.81","0.002","90","","1665.98","0.15","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 -","- C21 H30 -","- C84 H120 -","4","1","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.1161","0.0485","","0.1134","0.0948","0.1134","","","","","","0.9114","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515412","10.5317","0.0002","13.1456","0.0002","13.7434","0.0002","90","","90","","90","","1902.71","0.05","200","","200","","","","","","","","local","2","P b c n","-P 2n 2ab","60","","","","- C24 H34 -","- C24 H34 -","- C96 H136 -","4","0.5","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.0563","0.0442","","0.1291","0.1249","0.1291","","","","","","0.9501","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515414","21.8777","0.0007","24.4332","0.0008","8.9667","0.0002","90","","90","","90","","4793.1","0.2","120","2","120","2","","","","","","","Stephen Moore","4","P c c n","-P 2ab 2ac","56","","","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C192 H288 N32 O16 -","16","2","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.1841","0.1143","","","0.1725","0.2013","","","","","","1.153","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515415","29.2158","0.0005","29.2158","0.0005","7.5897","0.0002","90","","90","","90","","6478.3","0.2","120","2","120","2","","","","","","","Calley Haynes","4","I 41/a :2","-I 4ad","88","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C224 H304 N48 S16 -","16","1","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.106","0.0815","","","0.1815","0.193","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515416","10.8887","0.0004","22.7188","0.0008","17.5682","0.0006","90","","95.413","0.001","90","","4326.6","0.3","100","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 N4 O2 Pd -","- C50 H56 N4 O2 Pd -","- C200 H224 N16 O8 Pd4 -","4","1","","Konnick, Michael M.; Decharin, Nattawan; Popp, Brian V.; Stahl, Shannon S.","O2 insertion into a palladium(ii)-hydride bond: Observation of mechanistic crossover between HX-reductive-elimination and hydrogen-atom-abstraction pathways","Chemical Science","2011","2","2","326","","10.1039/c0sc00392a","","","0.71073","MoKα","","0.0386","0.0301","","","0.0756","0.0784","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515417","15.022","0.003","18.047","0.004","20.367","0.004","105.35","0.004","111.153","0.004","100.049","0.004","4736.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H96 B Cl3 F24 N4 Ni2 -","- C100 H96 B Cl3 F24 N4 Ni2 -","- C200 H192 B2 Cl6 F48 N8 Ni4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.1157","0.069","","","0.1728","0.1866","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515418","13.729","0.005","17.963","0.006","20.822","0.007","69.525","0.006","73.169","0.006","82.761","0.006","4603","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C182 H192 B2 Cl6 F48 N8 Ni4 Si2 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0765","0.0493","","","0.1105","0.123","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515419","12.531","0.0011","17.5339","0.0015","21.5138","0.0018","106.672","0.001","104.999","0.002","91.05","0.002","4352","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C176 H168 B2 Cl2 F48 N8 Ni4 O4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0619","0.0464","","","0.1012","0.1064","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515420","20.61","0.003","12.802","0.0015","30.984","0.004","90","","95.837","0.002","90","","8132.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 N5 Ni -","- C74 H69 B F24 N5 Ni -","- C296 H276 B4 F96 N20 Ni4 -","4","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0792","0.0555","","","0.1402","0.1491","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515421","12.378","0.0007","11.7627","0.0007","24.4212","0.0014","90","","92.43","0.001","90","","3552.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.27 H24.8 Cl0.47 N2 -","- C22.2666 H24.7998 Cl0.4668 N2 -","- C178.133 H198.398 Cl3.7344 N16 -","8","2","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0738","0.0577","","","0.1353","0.1444","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515422","8.9485","0.0005","12.2725","0.0007","17.1292","0.001","90","","93.113","0.001","90","","1878.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0505","0.0453","","","0.1115","0.1152","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515423","6.848","0.0014","11.736","0.002","12.384","0.003","65.95","0.03","79.94","0.03","76.84","0.03","881.2","0.4","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl2 N5 O2 Pt -","- C13 H17 Cl2 N5 O2 Pt -","- C26 H34 Cl4 N10 O4 Pt2 -","2","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0224","0.0205","","","0.05","0.0509","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515424","12.588","0.002","18.736","0.003","20.805","0.004","90","","106.39","0.02","90","","4707.4","1.5","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14.33 Cl2 N5 O0.67 Pt -","- C13 H13 Cl2 N5 O0.666667 Pt -","- C156 H156 Cl24 N60 O8 Pt12 -","12","3","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0806","0.0343","","","0.0693","0.0836","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515425","10.669","0.002","10.411","0.002","15.689","0.003","90","","108.89","0.03","90","","1648.8","0.6","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl2 N5 O4 Pt -","- C13 H13 Cl2 N5 O4 Pt -","- C52 H52 Cl8 N20 O16 Pt4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0201","0.0187","","","0.0479","0.0484","","","","","","1.188","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1515426","9.474","0.0003","7.1809","0.0002","27.9371","0.0008","90","","91.94","0.001","90","","1899.52","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N5 O3 Pt S -","- C13 H19 Cl2 N5 O3 Pt S -","- C52 H76 Cl8 N20 O12 Pt4 S4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","1.54178","CuKα","","0.0483","0.0463","","","0.1183","0.12","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515427","14.7922","0.0003","17.7744","0.0004","18.0925","0.0004","90","","98.265","0.001","90","","4707.52","0.18","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H65 F3 Si2 -","- C57 H65 F3 Si2 -","- C228 H260 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1048","0.0812","","","0.2001","0.225","","","","","","1.06","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515428","9.0009","0.0002","12.9917","0.0003","33.9922","0.001","90","","96.2183","0.0011","90","","3951.56","0.17","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","0.71073","MoKα","","0.1525","0.0587","","","0.1219","0.155","","","","","","0.974","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515429","7.3935","0.0002","7.7475","0.0002","17.3713","0.0004","96.23","0.001","100.619","0.001","94.648","0.001","967.02","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","1","0.5","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0826","0.0736","","","0.19","0.1962","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515430","7.7521","0.0002","15.8341","0.0004","17.6273","0.0005","70.941","0.001","80.257","0.001","81.988","0.001","2007.37","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C90 H106 F6 Si4 -","2","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0781","0.0675","","","0.1606","0.1684","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515431","13.6256","0.0004","28.5329","0.0007","10.5392","0.0003","90","","101.974","0.001","90","","4008.26","0.19","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1192","0.0878","","","0.2056","0.2273","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515432","9.536","0.0015","10.7745","0.0017","21.214","0.003","87.903","0.002","87.712","0.003","88.606","0.002","2175.9","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(Bob)Ti(O2C12H4Me4) . 0.5 C6H14","(2,2'-Biphenylbis(4-p-tolyl-2,4-butanedionato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) hemihexane solvate","","- C53 H51 O6 Ti -","- C53 H51 O6 Ti -","- C106 H102 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.7749","synchrotron","","0.0677","0.04","","","0.0927","0.1056","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515433","12.0648","0.0005","12.6467","0.0005","14.4497","0.0014","109.368","0.0014","96.4954","0.0015","106.998","0.0017","1934.4","0.2","99","2","99","2","","","","","","","","7","P -1","-P 1","2","(Hob)Ti(O2C12H4Me4) . CDCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuteriochloroform solvate","","- C43 H39 Cl3 D N O6 Ti -","- C43 H40 Cl3 N O6 Ti -","- C86 H80 Cl6 N2 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0473","0.0374","","","0.0932","0.0993","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515434","11.2931","0.0004","13.344","0.0005","15.1141","0.0006","96.792","0.002","102.423","0.002","93.434","0.003","2200.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Hob)Ti(O2C12H4[NO2]4) . 2 CHCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetranitrobiphenyl-2,2'-diolato)titanium(IV) dichloroform solvate","","- C40 H29 Cl6 N5 O14 Ti -","- C40 H29 Cl6 N5 O14 Ti -","- C80 H58 Cl12 N10 O28 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0746","0.0449","","","0.102","0.115","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515435","12.3148","0.0013","13.2234","0.0014","20.372","0.002","90","","94.795","0.0016","90","","3305.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Hox)Ti(O2C12H4Me4) . CD2Cl2","(2,2'-Biphenylbis(N-methylacetohydroxamato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuterodichloromethane solvate","","- C35 H34 Cl2 D2 N2 O6 Ti -","- C35 H36 Cl2 N2 O6 Ti -","- C140 H144 Cl8 N8 O24 Ti4 -","4","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0392","0.0307","","","0.0792","0.0846","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515436","11.6322","0.0006","5.663","0.0003","13.3325","0.0006","90","","102.479","0.001","90","","857.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C42 H36 O4 S2 -","2","1","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon–carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0322","0.0316","","","0.0831","0.0835","","","","","","1.14","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515437","10.4567","0.0003","14.5947","0.0004","16.071","0.0004","82.184","0.001","80.017","0.001","70.323","0.001","2266.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 I O4 S -","- C24 H20.5 I O4 S -","- C96 H82 I4 O16 S4 -","4","2","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0298","0.0262","","","0.0667","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515438","13.992","0.003","11.424","0.002","18.291","0.004","90","","101.06","0.03","90","","2869.4","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(trop2NH)(OOCCF3)] x [THF]","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine trifluoroacetate","","- C36 H31 F3 N Ni O3 -","- C36 H31 F3 N Ni O3 -","- C144 H124 F12 N4 Ni4 O12 -","4","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.0957","0.101","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515439","11.413","0.0011","12.0679","0.0011","14.4208","0.0013","98.677","0.002","95.682","0.002","114.432","0.002","1758.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nickel bis(5-H-dibenzo(a,d)cyclohepten-5-yl)-amine triphenylphosphane","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine triphenylphosphane","","- C48 H38 N Ni P -","- C48 H38 N Ni P -","- C96 H76 N2 Ni2 P2 -","2","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.053","0.0434","","","0.1099","0.1157","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515440","13.4561","0.0003","7.103","0.0002","13.8346","0.0004","90","","109.73","0.03","90","","1244.7","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-chlorophenyl-4'-nitrophenyl disulfide","4-chlorophenyl-4'-nitrophenyl disulfide","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C48 H32 Cl4 N4 O8 S8 -","4","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.048","0.0348","","","0.0898","0.0955","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515441","7.6164","0.0002","5.7256","0.0002","14.7508","0.0005","90","","94.881","0.002","90","","640.93","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(4-methylphenyl)disulfide","bis(4-methylphenyl)disulfide","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.0503","0.038","","","0.0833","0.0901","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515442","35.2292","0.0014","20.7057","0.0007","34.2007","0.001","90","","104.74","0.002","90","","24126.5","1.5","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C254 H114 F24 Fe4 N34 O32 S16 -","- C148 H114 Fe4 N26 -","- C592 H456 Fe16 N104 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1441","0.1134","","","0.2964","0.3177","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515443","26.876","0.005","38.443","0.008","22.391","0.005","90","","94.44","0.03","90","","23065","8","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C169 H123 F45 Fe4 N36 O31 S10 -","- C159 H123 F15 Fe4 N31 O11 S5 -","- C636 H492 F60 Fe16 N124 O44 S20 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1465","0.1069","","","0.2794","0.3103","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515444","12.4376","0.0004","6.2473","0.0002","14.2135","0.0005","90","","93.459","0.002","90","","1102.4","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","HF111A9B9","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.0889","0.0975","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515445","13.0268","0.0005","6.8021","0.0003","12.7876","0.0006","90","","105.286","0.003","90","","1093.02","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF126A14cris","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0419","","","0.0868","0.1002","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515446","16.985","0.003","5.1183","0.0009","12.565","0.002","90","","103.577","0.003","90","","1061.8","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF176A10B15","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0541","0.0398","","","0.0954","0.1041","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515447","7.3695","0.0005","47.261","0.003","11.0525","0.0006","90","","90.47","0.004","90","","3849.3","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O3 Si -","- C18 H31 N O3 Si -","- C144 H248 N8 O24 Si8 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1441","0.0846","","","0.159","0.1836","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515448","7.7628","0.0009","11.1348","0.0013","32.262","0.004","90","","90","","90","","2788.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.0582","0.0423","","","0.109","0.128","","","","","","1.182","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515449","11.93","0.002","8.5702","0.0015","30.278","0.005","90","","90","","90","","3095.7","0.9","100","2","100","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1036","0.0644","","","0.1515","0.1788","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515450","8.2299","0.0002","9.6964","0.0002","23.9162","0.0006","90","","90","","90","","1908.52","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","FL008t17cris","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0623","0.0428","","","0.0887","0.0979","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515451","8.2075","0.0003","9.8258","0.0004","24.0803","0.0007","90","","90","","90","","1941.96","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","HF250a784","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0514","","","0.1023","0.111","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515452","17.027","0.003","9.5242","0.0019","18.442","0.004","90","","104.05","0.03","90","","2901.2","1.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 Cu N4 O4 S2 -","- C30 H20 Br2 Cu N4 O4 S2 -","- C120 H80 Br8 Cu4 N16 O16 S8 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.1035","0.0497","","","0.1119","0.1182","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515453","7.5438","0.0008","9.0878","0.0009","11.3719","0.0012","85.485","0.006","78.375","0.006","69.76","0.005","716.44","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hdapp","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71069","MoKα","","0.0676","0.0459","","","0.1173","0.1281","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515454","12.965","0.0017","14.378","0.0018","12.9795","0.0016","90","","90.445","0.008","90","","2419.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hzapp","","","- C12.5 H15 N2 O3 -","- C12.5 H15 N2 O3 -","- C100 H120 N16 O24 -","8","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0809","0.043","","","0.0952","0.1124","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515455","12.997","0.0012","15.328","0.0017","9.0063","0.0008","90","","110.181","0.004","90","","1684.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cudapp2","","","- C30 H32 Cl6 Cu N4 O4 -","- C30 H32 Cl6 Cu N4 O4 -","- C60 H64 Cl12 Cu2 N8 O8 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0682","0.038","","","0.0854","0.1","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515456","11.368","0.002","11.457","0.002","12.809","0.002","67.679","0.01","76.787","0.011","74.165","0.011","1470","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Hbt6p","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0581","0.0386","","","0.0864","0.0947","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515457","8.2835","0.0004","13.979","0.0007","10.5581","0.0005","90","","90.255","0.002","90","","1222.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0453","0.0366","","","0.0882","0.0931","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515458","10.3006","0.0012","7.8737","0.001","13.7999","0.0016","90","","93.837","0.004","90","","1116.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0365","0.0332","","","0.086","0.0882","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515459","7.7458","0.0009","16.433","0.002","12.0999","0.0014","90","","103.182","0.004","90","","1499.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N4 O6 S2 -","- C28 H34 Cu N4 O6 S2 -","- C56 H68 Cu2 N8 O12 S4 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0434","0.0346","","","0.0934","0.0979","","","","","","1.07","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515460","4.8231","0.0002","8.3044","0.0003","14.264","0.0006","96.566","0.002","97.473","0.002","92.996","0.002","561.44","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","1","0.5","","Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco","A fully self-assembled non-symmetric triad for photoinduced charge separation","Chemical Science","2011","2","4","676","","10.1039/c0sc00520g","","","0.71073","MoKα","","0.1532","0.0966","","","0.2574","0.305","","","","","","1.038","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515461","13.381","0.003","14.391","0.003","16.034","0.003","90","","111.16","0.03","90","","2879.4","1.2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N4 P Pt -","- C27 H31 F6 N4 P Pt -","- C108 H124 F24 N16 P4 Pt4 -","4","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0599","0.0372","","","0.0904","0.0994","","","","","","0.736","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515462","8.652","0.002","11.015","0.002","14.031","0.003","90.68","0.03","98.09","0.03","90.57","0.03","1323.7","0.5","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 I3 N4 Pt -","- C23 H23 I3 N4 Pt -","- C46 H46 I6 N8 Pt2 -","2","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0595","0.0407","","","0.1022","0.1095","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515463","18.526","0.004","22.046","0.004","23.559","0.005","90","","90","","90","","9622","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H46 F12 N8 P2 Pt2 -","- C47 H46 F12 N8 P2 Pt2 -","- C376 H368 F96 N64 P16 Pt16 -","8","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","1.54178","CuKα","","0.0539","0.0433","","","0.1026","0.1107","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515464","16.7865","0.0017","9.2933","0.0006","36.414","0.005","90","","91.02","0.012","90","","5679.8","1","173","2","173","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1435","0.0553","","","0.0946","0.1135","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515465","9.485","0.0008","9.683","0.0009","15.5796","0.0014","79.592","0.008","83.901","0.007","85.662","0.007","1397","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0573","0.0378","","","0.0823","0.0866","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515466","17.2911","0.001","9.0613","0.0005","18.1015","0.001","90","","94.72","0.006","90","","2826.5","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1703","0.0785","","","0.0949","0.109","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515467","9.1633","0.0008","28.882","0.003","19.778","0.002","90","","101.303","0.01","90","","5132.8","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 -","- C36 H26 -","- C288 H208 -","8","2","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1884","0.0752","","","0.1445","0.1753","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515468","9.4375","0.0008","9.5683","0.0007","15.5001","0.0012","83.076","0.006","81.063","0.007","85.554","0.007","1370.13","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H27 N -","- C38 H27 N -","- C76 H54 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0488","0.0404","","","0.1066","0.1105","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515469","9.3196","0.0005","9.3671","0.0005","14.8298","0.0008","88.746","0.004","86.17","0.004","75.274","0.004","1249.27","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0637","0.0453","","","0.1161","0.1247","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515470","11.0629","0.0004","13.661","0.0005","15.0564","0.0006","93.282","0.002","107.469","0.002","106.87","0.002","2050.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77.5 H86 Cl10.2 S10 -","- C77.47 H86 Cl10.192 S10 -","- C77.47 H86 Cl10.192 S10 -","1","0.5","","Zhang, Fan; Götz, Günther; Mena-Osteritz, Elena; Weil, Matthias; Sarkar, Biprajit; Kaim, Wolfgang; Bäuerle, Peter","Molecular and electronic structure of cyclo[10]thiophene in various oxidation states: polaron pair vs. bipolaron","Chemical Science","2011","2","4","781","","10.1039/c0sc00560f","","","0.71073","MoKα","","0.1242","0.0775","","","0.1857","0.2188","","","","","","1.032","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515471","25.617","0.004","71.86","0.012","26.909","0.005","90","","92.466","0.004","90","","49489","15","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C468 H298 Cl8 N16 Ni4 S4 -","- C468 H298 Cl8 N16 Ni4 S4 -","- C1872 H1192 Cl32 N64 Ni16 S16 -","4","0.5","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71073","MoKα","","0.178","0.1191","","","0.2915","0.3194","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515472","41.392","0.014","41.392","0.014","22.518","0.007","90","","90","","90","","38580","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C264 H288 N16 S4 Zn4 -","- C264 H288 N16 S4 Zn4 -","- C1056 H1152 N64 S16 Zn16 -","4","0.25","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71069","MoKα","","0.2196","0.086","","","0.211","0.2413","","","","","","0.715","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515473","7.7381","0.0004","7.317","0.0004","14.5532","0.0008","90","","91.323","0.002","90","","823.78","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C36 H42 N6 O4 S2 -","2","1","","Albrecht, Łukasz; Albrecht, Anna; Ransborg, Lars Krogager; Jørgensen, Karl Anker","Asymmetric organocatalytic [3 + 2]-annulation strategy for the synthesis of N-fused heteroaromatic compounds","Chemical Science","2011","2","7","1273","","10.1039/c1sc00122a","","x-ray","0.71073","MoKα","","0.0243","0.0239","","","0.0652","0.0656","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515474","7.8404","0.0007","10.9935","0.001","20.087","0.0018","90","","90","","90","","1731.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yin, Qin; You, Shu-Li","Chiral phosphoric acid-catalysed Friedel–Crafts alkylation reaction of indoles with racemic spiro indolin-3-ones","Chemical Science","2011","2","7","1344","","10.1039/c1sc00190f","","","0.71073","MoKα","","0.0764","0.0459","","","0.1043","0.1173","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515475","8.4351","0.0009","28.233","0.003","8.7547","0.0009","90","","107.59","0.002","90","","1987.4","0.4","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Hf P -","- C22 H28 Hf P -","- C88 H112 Hf4 P4 -","4","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.0443","0.034","","","0.0819","0.0862","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515476","11.699","0.003","15.37","0.004","45.229","0.011","90","","90","","90","","8133","4","139","2","139","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H69 P5 Pt2 -","- C34 H69 P5 Pt2 -","- C272 H552 P40 Pt16 -","8","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.1243","0.0482","","","0.0799","0.0965","","","","","","0.884","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515478","22.6849","0.0012","37.2467","0.0018","45.91","0.003","90","","90","","90","","38791","4","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C120 H196 Dy6 Mn12 N8 O93 -","- C116 H140 Dy6 Mn12 N8 O69 -","- C928 H1120 Dy48 Mn96 N64 O552 -","8","0.25","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.1483","0.0725","","","0.1795","0.2274","","","","","","0.919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515479","19.7904","0.0005","21.4477","0.0004","26.7375","0.0006","95.344","0.001","97.864","0.001","115.293","0.001","10017.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H212 Dy6 Mn12 N8 O99 -","- C128 H137 Dy6 Mn12 N8 O71 -","- C256 H274 Dy12 Mn24 N16 O142 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.0746","0.0546","","","0.1539","0.1642","","","","","","1.134","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515480","19.8997","0.0009","21.3603","0.0011","26.7219","0.0012","95.001","0.001","97.626","0.001","115.09","0.001","10064.7","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H198 Mn12 N8 O90 Y6 -","- C127 H131 Mn12 N8 O71 Y6 -","- C254 H262 Mn24 N16 O142 Y12 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.2029","0.0868","","","0.2224","0.271","","","","","","0.855","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515481","16.022","0.005","10.006","0.002","17.448","0.004","90","","95.44","0.005","90","","2784.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N8 O2 -","- C29 H36 N8 O2 -","- C116 H144 N32 O8 -","4","2","","Fuentes, José A.; Lebl, Tomas; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Synthesis of organocatalysts using non-covalent chemistry; understanding the reactivity of ProNap, an enamine-type organocatalyst that can self assemble with complementary co-catalysts","Chemical Science","2011","2","10","1997","","10.1039/c1sc00299f","","","1.54178","CuKα","","0.0727","0.0588","","","0.148","0.1645","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515482","15.45","0.005","11.362","0.005","19.951","0.005","90","0.005","106.933","0.005","90","0.005","3350","2","113","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Co2 Mo O2 S4 -","- C34 H38 Co2 Mo O2 S4 -","- C136 H152 Co8 Mo4 O8 S16 -","4","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Tsukada, Satoru; Tada, Mizuki; Tsuneyuki, Shinji; Nishihara, Hiroshi","Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)","Chemical Science","2011","2","10","1960","","10.1039/c1sc00272d","","","0.71069","MoKα","","","0.0208","","","","0.0506","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515483","8.5511","0.0003","7.0723","0.0003","16.9235","0.0006","90","","93.189","0.003","90","","1021.88","0.07","233","2","233","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","anti-4,5-tetrahydro-2,3;6,7,2,3;6,7-tetrabenzoheptafulvalene","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.045","0.0345","","","0.0884","0.0925","","","","","","1.04","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515484","10.0613","0.0008","15.6693","0.0008","17.3989","0.0012","90","","105.143","0.008","90","","2647.8","0.3","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","syn-2,3;4,5;6,7;2,3;4,5;6,7-hexabenzoheptafulvalene","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","1","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.0793","0.0532","","","0.1163","0.1377","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515485","10.9072","0.0005","5.7181","0.0002","12.633","0.0005","90","","108.259","0.005","90","","748.23","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 Mn3 O9 -","- C3 H3 Mn3 O9 -","- C12 H12 Mn12 O36 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0674","0.0348","","","0.0648","0.0797","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515486","5.8745","0.0003","7.4316","0.0005","7.9227","0.0005","90","","92.414","0.004","90","","345.57","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H3 Mn O3 -","- C2 H3 Mn O3 -","- C8 H12 Mn4 O12 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0434","0.0302","","","0.0669","0.0707","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515487","8.1023","0.0002","9.3777","0.0003","12.5161","0.0004","90","","103.948","0.002","90","","922.95","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Mn2 O6 -","- C6 H10 Mn2 O6 -","- C24 H40 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0367","0.0337","","","0.073","0.0755","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515488","8.1123","0.001","9.3629","0.0011","13.462","0.0018","90","","94.88","0.007","90","","1018.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn2 O6 -","- C7 H12 Mn2 O6 -","- C28 H48 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0992","0.0915","","","0.2423","0.252","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515489","5.0589","0.0002","10.5756","0.0006","19.1948","0.0008","79.883","0.003","87.442","0.003","85.762","0.003","1007.68","0.08","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H20 Mn4 O14 -","- C15 H20 Mn4 O14 -","- C30 H40 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0788","0.0667","","","0.158","0.1697","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515490","5.0585","0.0003","12.4647","0.0007","20.8241","0.0009","90.848","0.004","90.047","0.004","90.77","0.005","1312.75","0.12","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H32 Mn4 O14 -","- C21 H32 Mn4 O14 -","- C42 H64 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","1.5418","CuKα","","0.0807","0.0709","","","0.1955","0.2035","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515491","14.215","0.0004","9.7664","0.0003","16.4588","0.0005","90","","90","","90","","2284.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl2 Cr N4 O10 -","- C15 H35 Cl2 Cr N4 O10 -","- C60 H140 Cl8 Cr4 N16 O40 -","4","0.5","","Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo","Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions","Chemical Science","2011","2","10","2057","","10.1039/c1sc00386k","","","0.71073","MoKα","","0.0531","0.0486","","","0.2021","0.2095","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515492","19.7916","0.0003","20.7295","0.0003","22.2512","0.0003","90.5711","0.0012","99.966","0.0013","117.623","0.0015","7923.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C158 H162 Cl6 N10 O6 Zn2 -","- C158 H162 Cl6 N10 O6 Zn2 -","- C316 H324 Cl12 N20 O12 Zn4 -","2","1","","Langton, Matthew J.; Matichak, Jonathan D.; Thompson, Amber L.; Anderson, Harry L.","Template-directed synthesis of π-conjugated porphyrin [2]rotaxanes and a [4]catenane based on a six-porphyrin nanoring","Chemical Science","2011","2","10","1897","","10.1039/c1sc00358e","","","1.5418","CuKα","","0.1253","0.1145","","0.3572","0.336","0.3572","","","","","","0.9654","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515494","12.5561","0.0005","12.803","0.0005","16.3869","0.0007","83.594","0.001","83.917","0.001","75.088","0.001","2521.48","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O5 -","- C26 H24 Cl2 N2 O5 -","- C104 H96 Cl8 N8 O20 -","4","2","","Ding, Miao; Zhou, Feng; Liu, Yun-Lin; Wang, Cui-Hong; Zhao, Xiao-Li; Zhou, Jian","Cinchona alkaloid-based phosphoramide catalyzed highly enantioselective Michael addition of unprotected 3-substituted oxindoles to nitroolefins","Chemical Science","2011","2","10","2035","","10.1039/c1sc00390a","","","0.71073","MoKα","","0.0607","0.046","","","0.1168","0.1326","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515495","21.9504","0.0013","8.4448","0.0005","18.7468","0.0011","90","","90","","90","","3475","0.4","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H56 Lu2 N2 -","- C38 H56 Lu2 N2 -","- C152 H224 Lu8 N8 -","4","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0173","0.0167","","","0.0405","0.0407","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515496","10.6716","0.0011","10.9978","0.0011","16.7386","0.0017","77.9317","0.0013","77.8776","0.0013","83.5536","0.0013","1873.4","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 N2 Y2 -","- C40 H60 N2 Y2 -","- C80 H120 N4 Y4 -","2","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0641","0.0459","","","0.1106","0.1189","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515497","9.217","0.005","11.524","0.004","15.597","0.006","100.75","0.014","105.128","0.017","110.659","0.017","1423.5","1.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S4 -","- C34 H28 S4 -","- C68 H56 S8 -","2","1","","Mitamura, Yukihiro; Yorimitsu, Hideki; Oshima, Koichiro; Osuka, Atsuhiro","Straightforward access to aryl-substituted tetrathiafulvalenes by palladium-catalysed direct C–H arylation and their photophysical and electrochemical properties","Chemical Science","2011","2","10","2017","","10.1039/c1sc00372k","","","0.71075","MoKα","","0.0424","0.0342","","","0.0948","0.0992","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515498","29.1152","0.0008","11.5743","0.0003","15.8437","0.0004","90","","114.799","0.001","90","","4846.8","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 I2 N O4 S -","- C21 H31 I2 N O4 S -","- C168 H248 I16 N8 O32 S8 -","8","1","","Sampath, Magesh; Lee, Pei-Ying Beatrix; Loh, Teck-Peng","Phosphine-catalyzed one-pot isomerization of 3-alkynoates and [2 + 3]-cycloaddition with imines: formal synthesis of Securinega alkaloid (±)-allosecurinine","Chemical Science","2011","2","10","1988","","10.1039/c1sc00311a","","","0.71073","MoKα","","0.0471","0.0314","","","0.072","0.0798","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515499","6.1156","0.0012","21.353","0.004","15.092","0.003","90","","95.378","0.003","90","","1962.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O2 -","- C25 H18 Br N O2 -","- C100 H72 Br4 N4 O8 -","4","1","","Li, Bi-Jie; Shi, Zhang-Jie","Ir-catalyzed highly selective addition of pyridyl C–H bonds to aldehydes promoted by triethylsilane","Chemical Science","2011","2","3","488","","10.1039/c0sc00419g","","","0.71073","MoKα","","0.0631","0.0565","","","0.1094","0.1126","","","","","","1.198","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515500","7.298","0.0004","12.069","0.0004","16.9434","0.0005","90","","90","","90","","1492.37","0.11","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Khan, Hasan A.; Kou, Kevin G. M.; Dong, Vy M.","Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones","Chemical Science","2011","2","3","407","","10.1039/c0sc00469c","","","0.71073","MoKα","","0.0544","0.0363","","","0.0771","0.0842","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515501","10.639","0.005","14.831","0.005","20.681","0.005","90","","96.24","0.015","90","","3244","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B F4 N2 O3 -","- C36 H41 B F4 N2 O3 -","- C144 H164 B4 F16 N8 O12 -","4","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.7015","synchrotron","","0.0479","0.0388","","0.0624","0.058","0.0624","","","","","","1.1999","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515502","8.641","0.002","12.453","0.003","16.039","0.003","91.073","0.004","92.167","0.01","100.384","0.011","1695.8","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 F6 N2 O2 -","- C41 H36 F6 N2 O2 -","- C82 H72 F12 N4 O4 -","2","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.71073","MoKα","","0.0486","0.0456","","0.08","0.0785","0.08","","","","","","1.1087","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515503","10.061","0.01","10.107","0.009","30.25","0.03","94.45","0.03","97.31","0.04","95.24","0.04","3026","5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.6889","Synchrotron","","0.1182","0.1042","","0.2124","0.1993","0.2124","","","","","","1.0207","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515504","9.8471","0.0002","11.4921","0.0002","12.2245","0.0002","68.0681","0.001","89.3833","0.0009","85.0539","0.0008","1278.13","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0717","0.0592","","0.0796","0.0679","0.0679","","","","","","1.1314","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515505","23.7695","0.0004","11.2232","0.0002","24.0588","0.0005","90","","114.59","0.0009","90","","5836.11","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1201","0.0766","","0.2254","0.1963","0.2254","","","","","","0.9391","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515506","8.2914","0.0002","19.8515","0.0004","16.9016","0.0004","90","","97.5218","0.001","90","","2758.01","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F24 N8 O6 P4 -","- C40 H48 F24 N8 O6 P4 -","- C80 H96 F48 N16 O12 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0936","0.0745","","0.2086","0.1946","0.2086","","","","","","0.956","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515507","9.5897","0.0001","10.4314","0.0002","32.0723","0.0005","90","","97.2039","0.0007","90","","3182.99","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 F24 N8 O4 P4 -","- C52 H60 F24 N8 O4 P4 -","- C104 H120 F48 N16 O8 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0962","0.0622","","0.1538","0.1357","0.1538","","","","","","0.9884","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515508","16.7324","0.0003","20.1029","0.0003","17.8841","0.0003","90","","108.474","0.0007","90","","5705.66","0.17","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 F24 N10 O4 P4 -","- C46 H54 F24 N10 O4 P4 -","- C184 H216 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1162","0.0742","","0.2248","0.1933","0.2246","","","","","","0.8573","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515509","17.5254","0.0002","12.7345","0.0001","30.6082","0.0004","90","","90.6673","0.0006","90","","6830.59","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H64 F24 N10 O4 P4 -","- C66 H64 F24 N10 O4 P4 -","- C264 H256 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0502","","0.1591","0.119","0.1591","","","","","","0.8531","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515510","22.9688","0.001","18.0778","0.0006","21.4031","0.0007","90","","90","","90","","8887.1","0.6","150","","150","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C56.15 H47.03 Co1.58 F24 N8 O7.09 P4 -","- C56.154 H47.032 Co1.576 F24 N8 O7.092 P4 -","- C224.616 H188.128 Co6.304 F96 N32 O28.368 P16 -","4","0.25","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1821","0.1542","","0.2606","0.1803","0.1803","","","","","","1.0106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515511","10.192","0.0001","20.0159","0.0003","24.1601","0.0004","90","","90","","90","","4928.71","0.12","150","","150","","","","","","","","","5","P c m b","-P 2bc 2c","57","","","","- C44.4 H54.28 Cl4 N9.47 O5.47 -","- C44.404 H54.276 Cl4 N9.468 O5.468 -","- C177.616 H217.104 Cl16 N37.872 O21.872 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1013","0.0679","","0.2127","0.1932","0.2127","","","","","","0.9493","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515512","8.0143","0.0001","22.0345","0.0003","13.2696","0.0002","90","","93.0774","0.0005","90","","2339.91","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H52.71 N20.71 O4 -","- C46 H52.71 N20.71 O4 -","- C92 H105.42 N41.42 O8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.082","0.0553","","0.1487","0.1362","0.1487","","","","","","0.9538","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515513","9.1698","0.0002","16.1629","0.0003","23.2751","0.0005","101.433","0.0008","93.1531","0.0008","105.604","0.0009","3235.03","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C136 H157 N16 O38.5 -","- C136 H157.004 N16 O38.502 -","- C136 H157.004 N16 O38.502 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0532","","0.1551","0.1244","0.1551","","","","","","0.9619","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515514","34.1635","0.0006","12.097","0.0002","12.7837","0.0002","90","","106.831","0.0008","90","","5056.87","0.15","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Au Cl4 F6 N10 O2 P -","- C46 H50 Au Cl4 F6 N10 O2 P -","- C184 H200 Au4 Cl16 F24 N40 O8 P4 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0508","0.0378","","0.0914","0.0857","0.0914","","","","","","0.9639","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515515","12.9114","0.0003","10.3713","0.0003","12.8078","0.0003","90","","119.78","0.0012","90","","1488.57","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0358","0.0277","","0.0702","0.0663","0.0702","","","","","","0.9862","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515516","9.6916","0.0002","13.8803","0.0003","10.966","0.0003","90","","94.153","0.001","90","","1471.3","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0278","0.0229","","0.0565","0.054","0.0565","","","","","","0.9888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515517","29.669","0.0003","29.669","0.0003","29.669","0.0003","90","","90","","90","","26116.1","0.5","150","2","150","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C47 H49 Cl10.667 Fe4 N9 O4 -","- C47 H43 Cl10.668 Fe4 N9 O4 -","- C564 H516 Cl128.016 Fe48 N108 O48 -","12","0.25","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0578","0.0482","","","0.1299","0.1456","","","","","","1.187","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515518","21.7946","0.0006","21.7946","0.0006","21.7946","0.0006","90","","90","","90","","10352.5","0.5","150","2","150","2","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C132 H132 Cl4 F36 Fe5 N24 O12 P6 -","- C132 H108 Cl4 F36 Fe5 N24 O12 P6.0004 -","- C264 H216 Cl8 F72 Fe10 N48 O24 P12.0008 -","2","0.0833333","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0982","0.0598","","","0.1636","0.1783","","","","","","0.987","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515519","22.054","0.004","22.054","0.004","13.223","0.003","90","","90","","120","","5569.7","1.9","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","anti-5,5'-(1,2-ethenediylidene)bis-5H- dibenzo(a,d)cycloheptene and m-xylene","anti-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene and m-xylene","","- C104 H70 -","- C103.98 H60 -","- C311.94 H180 -","3","0.166667","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.1128","0.0586","","","0.1718","0.2087","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515520","8.0144","0.0005","20.9765","0.0011","12.7099","0.0007","90","","90","","90","","2136.7","0.2","296","2","296","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","syn-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","0.5","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.0684","0.0485","","","0.1277","0.1474","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515521","13.323","0.002","13.5457","0.0019","18.023","0.004","90","","98.623","0.017","90","","3215.8","1","112","","112","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Au N2 O2 -","- C29 H41 Au N2 O2 -","- C116 H164 Au4 N8 O8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1905","0.0988","","","0.2228","0.2437","","","","","","0.861","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515522","9.9439","0.0005","15.6363","0.0008","16.4516","0.0008","79.47","0.004","83.978","0.004","77.02","0.004","2445.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 Au N2 -","- C27 H29 Au N2 -","- C108 H116 Au4 N8 -","4","2","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1177","0.037","","","0.078","0.1025","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515523","8.327","0.002","29.402","0.004","8.849","0.001","90","","98.648","0.005","90","","2141.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Au N2 -","- C22 H27 Au N2 -","- C88 H108 Au4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1102","0.0612","","","0.1359","0.151","","","","","","0.875","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515524","9.1235","0.0014","7.999","0.002","34.742","0.012","90","","94.181","0.0018","90","","2528.7","1.1","116","","116","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Au I N2 -","- C27 H30 Au I N2 -","- C108 H120 Au4 I4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1467","0.1069","","","0.2494","0.2665","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515525","16.9075","0.0012","9.8602","0.0007","17.2281","0.0012","90","","113.997","0.002","90","","2623.9","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Au O2 P -","- C29 H32 Au O2 P -","- C116 H128 Au4 O8 P4 -","4","1","","Simonneau, Antoine; Jaroschik, Florian; Lesage, Denis; Karanik, Magdalena; Guillot, Régis; Malacria, Max; Tabet, Jean-Claude; Goddard, Jean-Philippe; Fensterbank, Louis; Gandon, Vincent; Gimbert, Yves","Tracking gold acetylides in gold(i)-catalyzed cycloisomerization reactions of enynes","Chemical Science","2011","2","12","2417","","10.1039/c1sc00478f","","x-ray","0.71073","MoKα","","0.0851","0.0631","","","0.1754","0.2057","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515526","34.0823","0.0007","5.4014","0.0001","16.6312","0.0003","90","","102.68","0.001","90","","2987","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C136 H144 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0385","0.0334","","","0.0869","0.09","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515527","12.3076","0.0003","9.776","0.0003","26.6952","0.0007","90","","90","","90","","3211.94","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0504","0.0407","","","0.1041","0.111","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515528","5.2071","0.0001","12.8881","0.0003","14.6972","0.0004","90","","90","","90","","986.32","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C32 H56 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0344","0.0333","","","0.0986","0.0997","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515529","14.5628","0.0004","6.4095","0.0002","16.6818","0.0004","90","","102.174","0.002","90","","1522.07","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0474","0.0379","","","0.0996","0.105","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515530","6.0485","0.0004","16.8765","0.0013","27.927","0.002","90","","90","","90","","2850.7","0.4","100","2","100","2","","","","","","","Aakarash Saxena","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O3 S Si -","- C30 H41 N O3 S Si -","- C120 H164 N4 O12 S4 Si4 -","4","1","","Saxena, Aakarsh; Lam, Hon Wai","Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes","Chemical Science","2011","2","12","2326","","10.1039/c1sc00521a","","","1.5418","CuKα","","0.049","0.0439","","","0.1088","0.113","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515531","24.233","0.016","11.685","0.008","20.507","0.013","90","","111.491","0.011","90","","5403","6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H55 N2 O17.5 -","- C63 H55 N2 O17.385 -","- C252 H220 N8 O69.54 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1507","0.0649","","","0.1185","0.1471","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515532","11.0841","0.0002","13.3658","0.0002","17.321","0.0003","90","","90","","90","","2566.07","0.07","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 O9 -","- C27 H28 Cl2 N2 O9 -","- C108 H112 Cl8 N8 O36 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","1.54184","CuKα","","0.0305","0.0301","","","0.0904","0.0911","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515533","13.8836","0.0007","17.9623","0.001","18.7911","0.001","75.44","0.002","88.26","0.002","85.425","0.002","4520.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C27 H26 F12 N2 P2 -","- C27 H26 F12 N2 P2 -","- C162 H156 F72 N12 P12 -","6","3","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1328","0.0733","","","0.2068","0.2488","","","","","","0.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515534","9.074","0.0006","16.546","0.0011","20.709","0.0017","90","","109.934","0.006","90","","2922.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 N2 O6 S2 -","- C29 H26 F6 N2 O6 S2 -","- C116 H104 F24 N8 O24 S8 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.0528","0.0416","","","0.1027","0.1119","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515538","12.518","0.005","18.378","0.005","20.119","0.005","97.003","0.005","102.035","0.005","107.893","0.005","4221","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H76 F15 N8 O22 P Pd S3 -","- C74 H76 F15 N8 O22 P Pd S3 -","- C148 H152 F30 N16 O44 P2 Pd2 S6 -","2","1","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.194","0.1162","","","0.3326","0.3874","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515539","12.0255","0.0005","20.4941","0.0008","28.0429","0.0012","90","","93.676","0.002","90","","6897","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H144 F18 N14 O46 Pd2 S6 -","- C122 H144 F18 N14 O46 Pd2 S6 -","- C244 H288 F36 N28 O92 Pd4 S12 -","2","0.5","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.127","0.1062","","","0.2562","0.2712","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515540","13.067","0.005","14.272","0.005","17.273","0.005","67.392","0.005","77.696","0.005","87.835","0.005","2902","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 F12 N5 P2 -","- C31 H21 F12 N5 P2 -","- C124 H84 F48 N20 P8 -","4","2","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.1278","0.0643","","","0.1725","0.2228","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515541","8.7653","0.0002","8.7653","0.0002","13.8811","0.0005","90","","90","","90","","1066.49","0.05","90","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.631 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.6889","synchrotron","","0.1508","0.0572","","","0.0688","0.0937","","","","1.69","1.69","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515542","8.7788","0.0004","8.7788","0.0004","13.8604","0.0006","90","","90","","90","","1068.18","0.08","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.29 K9.223 Se20 -","- Fe15.284 K9.222 Se20 -","- Fe15.284 K9.222 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.71069","MoKα","","0.0721","0.0578","","","0.0771","0.0849","","","","1.8","1.8","1.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515543","12.6286","0.0009","13.2786","0.001","14.6898","0.001","85.812","0.002","77.077","0.002","67.47","0.002","2217.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O8 -","- C48 H64 O8 -","- C96 H128 O16 -","2","1","","Hau, Chun-Kit; Chui, Stephen Sin-Yin; Lu, Wei; Che, Chi-Ming; Cheng, Ping-Shing; Mak, Thomas C. W.; Miao, Qian; Wong, Henry N. C.","Thermotropic liquid crystals based on 1,8,9,16-tetrasubstituted tetraphenylenes and their structure–property relationship studies","Chemical Science","2011","2","6","1068","","10.1039/c1sc00053e","","","0.71073","MoKα","","0.1681","0.067","","","0.1589","0.2093","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515544","11.05","0.002","13.83","0.003","14.03","0.003","78.8","0.03","83.81","0.03","69.28","0.03","1965.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Hooper, Thomas; Brechin, Euan K.; Evangelisti, Marco; Murray, Keith S.","Molecular coolers: The case for [CuII5GdIII4]","Chemical Science","2011","2","6","1166","","10.1039/c1sc00038a","","","0.71082","synchrotron","","0.0409","0.0398","","","0.0992","0.0999","","","","","","1.132","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515545","11.0978","0.0011","10.0421","0.001","15.8898","0.0016","90","","99.529","0.002","90","","1746.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H42 N2 O4 -","- C41 H42 N2 O4 -","- C82 H84 N4 O8 -","2","1","","Li, Jie; Chen, Gang; Wang, Zheng; Zhang, Ruzhou; Zhang, Xumu; Ding, Kuiling","Spiro-2,2′-bichroman-based bisoxazoline (SPANbox) ligands for ZnII-catalyzed enantioselective hydroxylation of β-keto esters and 1,3-diester","Chemical Science","2011","2","6","1141","","10.1039/c0sc00607f","","","0.71073","MoKα","","0.075","0.0608","","","0.1302","0.1373","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515546","9.9624","0.0004","17.8137","0.0008","12.6175","0.0006","90","","98.264","0.002","90","","2215.94","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O2 S -","- C12 H18 Br N O2 S -","- C72 H108 Br6 N6 O12 S6 -","6","3","","Chuang, Kangway V.; Navarro, Raul; Reisman, Sarah E.","Benzoquinone-derived sulfinyl imines as versatile intermediates for alkaloid synthesis: Total synthesis of (–)-3-demethoxyerythratidinone","Chemical Science","2011","2","6","1086","","10.1039/c1sc00095k","","","0.71073","MoKα","","0.0344","0.0257","","","0.0308","0.0315","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515547","11.5561","0.0003","31.6369","0.0007","9.5457","0.0003","90","","109.984","0.003","90","","3279.77","0.16","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.0708","0.0477","","","0.0946","0.0981","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515548","12.096","0.005","32.135","0.005","9.467","0.005","90","0.005","111.981","0.005","90","0.005","3412","2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1188","0.0635","","","0.1689","0.1812","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515549","11.9215","0.0015","31.91","0.003","9.4841","0.0011","90","","111.535","0.013","90","","3356","0.7","250","2","250","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1371","0.053","","","0.124","0.1372","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515550","11.5602","0.0004","31.6268","0.0012","9.5237","0.0004","90","","110.199","0.004","90","","3267.8","0.2","92","2","92","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1074","0.0546","","","0.1139","0.123","","","","","","0.923","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515552","30.1892","0.0002","30.1892","0.0002","30.1892","0.0002","90","","90","","90","","27514.1","0.3","296","2","296","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C32 H28 Cu2 O14 -","- C32 H4 Cu2 O14 -","- C192 H24 Cu12 O84 -","6","0.125","","Jeong, Kyung Seok; Go, Yong Bok; Shin, Sung Min; Lee, Suk Joong; Kim, Jaheon; Yaghi, Omar M.; Jeong, Nakcheol","Asymmetric catalytic reactions by NbO-type chiral metal‒organic frameworks","Chemical Science","2011","2","5","877","","10.1039/c0sc00582g","","","1.54178","CuKα","","0.1328","0.0613","","","0.1891","0.2227","","","","","","0.741","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515553","63.385","0.004","12.6019","0.0008","38.409","0.003","90","","98.769","0.004","90","","30321","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 N6 P -","- C54 H76 N6 P -","- C1296 H1824 N144 P24 -","24","3","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1067","0.0641","","","0.1503","0.1742","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515554","11.516","0.006","22.439","0.011","25.37","0.012","90","","98.889","0.008","90","","6477","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 N7 P V -","- C66 H98 N7 P V -","- C264 H392 N28 P4 V4 -","4","1","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1689","0.0637","","","0.1031","0.1303","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515555","11.5815","0.0001","11.8231","0.0001","25.3961","0.0003","80.0523","0.0004","87.1768","0.0004","66.4893","0.0005","3140.1","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H73 N5 O12 -","- C70 H73 N5 O12 -","- C140 H146 N10 O24 -","2","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.71073","MoKα","","0.0646","0.0502","","0.1259","0.1151","0.1259","","","","","","0.9815","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515556","11.009","0.007","17.213","0.01","25.06","0.016","73.3","0.02","82.6","0.03","79.77","0.03","4461","5","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C96 H102 Cl N5 O20 -","- C96 H102 Cl N5 O20 -","- C192 H204 Cl2 N10 O40 -","2","2","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1273","0.12","","0.3295","0.3229","0.3295","","","","","","1.0058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515557","12.2168","0.0013","24.953","0.003","31.028","0.003","90","","97.622","0.001","90","","9375.2","1.8","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H110 Cl N5 O22 -","- C102 H110 Cl N5 O22 -","- C408 H440 Cl4 N20 O88 -","4","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1268","0.0971","","0.1927","0.168","0.1927","","","","","","1.0548","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515558","26.964","0.004","14.146","0.002","24.947","0.004","90","","116.938","0.002","90","","8483","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(THT)AuP(Ph2CCO)3Nb(N[CH2tBu]Ar)3 2.5.THF","","","- C95 H118 Au N3 Nb O5.5 P S -","- C95 H118 Au N3 Nb O5.5 P S -","- C380 H472 Au4 N12 Nb4 O22 P4 S4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0572","0.0397","","","0.0924","0.1032","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515559","27.017","0.002","14.1228","0.0013","24.657","0.002","90","","116.11","0.001","90","","8447.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)AuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Au N4 Nb O5.5 P -","- C96 H115 Au N4 Nb O5.5 P -","- C384 H460 Au4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0575","0.0373","","","0.095","0.103","","","","","","1.031","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515560","27.086","0.002","14.0697","0.0011","24.79","0.002","90","","116.396","0.001","90","","8462.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(pyr)AgP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Ag N4 Nb O5.5 P -","- C96 H115 Ag N4 Nb O5.5 P -","- C384 H460 Ag4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0897","0.0523","","","0.1208","0.1391","","","","","","0.969","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515561","23.3525","0.0016","15.0941","0.001","25.0969","0.0017","90","","115.147","0.001","90","","8007.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Rh(eta(6)-Ph,eta(2)-Ph'-P(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C92.5 H122 N3 Nb O5 P Rh -","- C91.509 H112.036 N3 Nb O4.991 P Rh -","- C366.036 H448.144 N12 Nb4 O19.964 P4 Rh4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0582","0.0414","","","0.097","0.1105","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515562","27.065","0.003","14.0252","0.0016","24.972","0.003","90","","116.777","0.002","90","","8462.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)CuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Cu N4 Nb O5.5 P -","- C96 H115 Cu N4 Nb O5.5 P -","- C384 H460 Cu4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0664","0.0471","","","0.1259","0.1402","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515563","17.736","0.002","17.736","0.002","51.913","0.007","90","","90","","120","","14142","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Na(thf)6][(Ar[Np]N)3Nb(OC[CPh2])3P]","","","- C105 H138 N3 Na Nb O9 P -","- C105 H138 N3 Na Nb O9 P -","- C630 H828 N18 Na6 Nb6 O54 P6 -","6","0.333333","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0752","0.0495","","","0.1179","0.1362","","","","","","1.036","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515564","23.715","0.002","16.1639","0.0013","19.4189","0.0016","90","","107.002","0.001","90","","7118.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(Ar[Np]N)3Nb(OC[CPh2])2P][Na(thf)]","","","- C74.75 H97 N3 Na Nb O3 P -","- C74.75 H97 N3 Na Nb O3 P -","- C299 H388 N12 Na4 Nb4 O12 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0659","0.0455","","","0.1156","0.131","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515565","10.2629","0.0002","12.4476","0.0003","14.5233","0.0003","112.514","0.002","91.655","0.002","105.741","0.002","1631.16","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H61 Fe2 -","- C34 H61 Fe2 -","- C68 H122 Fe4 -","2","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0839","0.0459","","","0.093","0.1076","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515566","9.0398","0.0002","9.0398","0.0002","40.2263","0.0012","90","","90","","90","","3287.21","0.14","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H62 Fe2 -","- C34 H62 Fe2 -","- C136 H248 Fe8 -","4","0.5","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","1.54178","CuKα","","0.0262","0.0253","","","0.0648","0.0653","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515567","13.3878","0.0003","13.7768","0.0003","19.6471","0.0004","90","","90","","90","","3623.73","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 Fe2 P4 -","- C34 H58 Fe2 P4 -","- C136 H232 Fe8 P16 -","4","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0476","0.0388","","","0.0845","0.0879","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515568","54.319","0.008","4.7958","0.0007","18.476","0.003","90","","109.058","0.002","90","","4549.2","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C256 H192 N32 -","16","2","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0858","0.0629","","","0.1558","0.1676","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515569","14.9876","0.0013","5.6399","0.0005","18.1283","0.0016","90","","94.317","0.002","90","","1528","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0667","0.0511","","","0.1199","0.1292","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515570","18.7505","0.0012","7.0987","0.0004","20.0419","0.0012","90","","90","","90","","2667.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C120 H80 Br16 N16 -","8","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0561","0.0357","","","0.0785","0.0854","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515571","11.3993","0.0012","20.292","0.002","6.8679","0.0007","90","","116.348","0.002","90","","1423.6","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 Br2 N2 -","- C16 H12 Br2 N2 -","- C64 H48 Br8 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0304","0.026","","","0.0517","0.053","","","","","","0.881","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515572","4.7179","0.0003","13.9491","0.0009","18.8428","0.0012","90","","90","","90","","1240.05","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0382","0.0332","","","0.0722","0.0743","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515573","10.4908","0.0014","17.614","0.002","9.1784","0.0012","90","","106.541","0.002","90","","1625.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Tang, Bo-Xiao; Song, Ren-Jie; Wu, Cui-Yan; Wang, Zhi-Qiang; Liu, Yu; Huang, Xiao-Cheng; Xie, Ye-Xiang; Li, Jin-Heng","Ruthenium-catalyzed intramolecular carbocyclization of alkynes with an sp3 carbon involving an oxidative deprotonation process","Chemical Science","2011","2","11","2131","","10.1039/c1sc00423a","","","0.71073","MoKα","","0.0706","0.0524","","","0.1339","0.1441","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515574","12.942","0.002","5.7874","0.001","22.755","0.004","90","","104.764","0.003","90","","1648.1","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Robbins, Diane; Newton, Annabella F.; Gignoux, Camille; Legeay, Jean-Christophe; Sinclair, Alex; Rejzek, Martin; Laxon, Carly A.; Yalamanchili, Sai K.; Lewis, William; O'Connell, Maria A.; Stockman, Robert A.","Synthesis of natural-product-like scaffolds in unprecedented efficiency via a 12-fold branching pathway","Chemical Science","2011","2","11","2232","","10.1039/c1sc00371b","","","0.71073","MoKα","","0.1409","0.1351","","","0.2264","0.2285","","","","","","1.401","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515575","27.1704","0.0019","27.1704","0.0019","27.1704","0.0019","90","","90","","90","","20058","2","113","2","113","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C156 H84 N48 O68 Zn7 -","- C156 H84 N48 O68.04 Zn7 -","- C624 H336 N192 O272.16 Zn28 -","4","0.0833333","","Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide","Chemical Science","2011","2","11","2214","","10.1039/c1sc00421b","","","0.71073","MoKα","","0.098","0.0615","","","0.137","0.1596","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515578","24.217","0.003","24.217","0.003","44.518","0.009","90","","90","","90","","26108","7","253","2","253","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H46 Cl4 Fe2 N13 O17.5 -","- C62 H40 Cl4 Fe2 N13 O17.5 -","- C992 H640 Cl64 Fe32 N208 O280 -","16","0.5","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1108","0.0588","","","0.1672","0.1925","","","","","","0.909","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515579","28.005","0.006","23.913","0.005","25.973","0.005","90","","115.78","0.03","90","","15663","7","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H53.25 Cl4 Fe2 N17.5 O18 -","- C77 H46 Cl4 Fe2 N17.5 O18 -","- C616 H368 Cl32 Fe16 N140 O144 -","8","2","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.2768","0.1013","","","0.2199","0.29","","","","","","0.808","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515580","19.005","0.004","14.428","0.003","20.463","0.004","90","","101.45","0.02","90","","5499","2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl4 Fe2 N10 O21 -","- C50 H34 Cl4 Fe2 N10 O21 -","- C200 H136 Cl16 Fe8 N40 O84 -","4","1","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1054","0.0609","","","0.1688","0.1973","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515581","12.1016","0.0004","6.4721","0.0002","11.3344","0.0004","90","","111.593","0.001","90","","825.44","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0522","0.0473","","","0.0922","0.0946","","","","","","1.231","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515582","12.3578","0.0007","6.5315","0.0008","11.4964","0.0007","90","","112.436","0.003","90","","857.69","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0592","0.0362","","","0.0845","0.0953","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515583","27.568","0.007","15.989","0.004","25.24","0.006","90","","106.726","0.005","90","","10655","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C364 H520 B8 Cl8 Cu16 F32 N40 P16 -","4","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1807","0.082","","","0.2251","0.2879","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515584","12.238","0.002","18.531","0.003","20.929","0.003","90","","103.246","0.003","90","","4620.1","1.3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C184 H168 B4 Cl8 Cu8 F16 N20 P8 -","2","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1001","0.0477","","","0.1142","0.1526","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515585","8.485","0.002","13.769","0.002","15.231","0.003","91.11","0.002","100.453","0.003","91.01","0.002","1749.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 B Cu F4 N5 P -","- C38 H34 B Cu F4 N5 P -","- C76 H68 B2 Cu2 F8 N10 P2 -","2","1","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.0824","0.0513","","","0.127","0.152","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515586","30.849","0.0006","30.849","0.0006","23.5478","0.0006","90","","90","","120","","19407.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H62 Li N3 O3 Ti -","- C44.92 H61.92 Li N3 O3 Ti -","- C808.56 H1114.56 Li18 N54 O54 Ti18 -","18","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","1.54178","CuKα","","0.0749","0.056","","","0.1485","0.1605","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515587","19.9166","0.0018","19.1716","0.0018","21.779","0.002","90","","90","","90","","8315.9","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 N3 O3 Si Ti -","- C40 H63 N3 O3 Si Ti -","- C320 H504 N24 O24 Si8 Ti8 -","8","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","0.71073","MoKα","","0.062","0.0427","","","0.0987","0.1113","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515588","3.822","0.0007","13.266","0.002","13.858","0.002","118.434","0.002","93.312","0.003","94.22","0.003","612.74","0.17","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H16 S4 -","- C40 H16 S4 -","- C40 H16 S4 -","1","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0711","0.0543","","","0.1474","0.1589","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515589","27.556","0.0011","16.5467","0.0007","28.5253","0.0012","90","","94.415","0.001","90","","12967.8","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58.33 H50.67 S4 -","- C58.3333 H50.6667 S4 -","- C700 H608 S48 -","12","3","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0997","0.0626","","","0.1641","0.1847","","","","","","1.275","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515590","13.742","0.002","21.483","0.004","17.611","0.003","90","","96.049","0.003","90","","5170.2","1.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 N4 S4 -","- C68 H52 N4 S4 -","- C272 H208 N16 S16 -","4","1","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.117","0.0726","","","0.1773","0.205","","","","","","1.287","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515591","22.514","0.005","19.373","0.004","19.548","0.004","90","","108.901","0.003","90","","8066","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C310 H64 S4 -","- C310 H64 S4 -","- C620 H128 S8 -","2","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.3184","0.1623","","","0.3811","0.4275","","","","","","1.724","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515592","17.249","0.002","17.249","0.002","81.989","0.016","90","","90","","120","","21126","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C132 H202 N6 O6 S U2 -","- C131.9 H174 N6 O6 S U2 -","- C791.4 H1044 N36 O36 S6 U12 -","6","0.166667","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1182","0.0563","","","0.1192","0.1305","","","","","","1.364","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515593","14.8605","0.0019","15.046","0.002","17.8037","0.0016","70.931","0.009","81.732","0.011","60.483","0.01","3273.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 N10 O6 S0.02 Se0.98 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","1","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0495","0.0387","","","0.092","0.0969","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515594","22.837","0.0016","24.081","0.002","25.25","0.002","90","","116.123","0.008","90","","12467.5","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 S U2 -","- C130 H187 N2 O17 S U2 -","- C520 H748 N8 O68 S4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.105","0.0569","","","0.1242","0.1535","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515595","22.7926","0.0018","24.1118","0.0009","25.319","0.003","90","","116.089","0.01","90","","12497","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 Se U2 -","- C130 H187 N2 O17 Se U2 -","- C520 H748 N8 O68 Se4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1217","0.052","","","0.106","0.1322","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515596","28.397","0.003","17.161","0.0019","55.426","0.011","90","","103.778","0.011","90","","26233","7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 S2 U2 -","- C132 H192 N2 Na2 O18 S2 U2 -","- C1056 H1536 N16 Na16 O144 S16 U16 -","8","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1004","0.0805","","","0.2101","0.2182","","","","","","1.481","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515597","24.887","0.005","21.404","0.004","26.847","0.005","90","","110.322","0.009","90","","13411","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 Se2 U2 -","- C132 H192 N2 Na2 O18 Se2 U2 -","- C528 H768 N8 Na8 O72 Se8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0897","0.0527","","","0.1219","0.1345","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515598","24.818","0.002","21.454","0.002","27.07","0.003","90","","110.585","0.011","90","","13493","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C536 H784 N8 Na8 O74 Te8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0794","0.0477","","","0.1003","0.1104","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515599","15.1722","0.0016","16.9264","0.0012","21.898","0.0016","99.027","0.006","100.16","0.007","96.211","0.008","5413.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H162 N3 O14 U2 -","- C122.996 H161.99 N3 O13.998 U2 -","- C245.992 H323.98 N6 O27.996 U4 -","2","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1064","0.0522","","","0.1","0.1188","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515600","10.3614","0.0008","11.1748","0.0009","18.7204","0.0016","90","","90","","90","","2167.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O5 S -","- C22 H20 Br N O5 S -","- C88 H80 Br4 N4 O20 S4 -","4","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via cinchonine derived thiourea-catalyzed enantioselective aza-Michael reaction and total synthesis of (-)-Mesembrine","Chemical Science","2011","2","8","1519","","10.1039/c1sc00083g","","","0.71073","MoKα","","0.0829","0.0364","","","0.0559","0.064","","","","","","0.848","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515601","10.6331","0.0004","10.6331","0.0004","5.6597","0.0003","90","","90","","90","","639.9","0.05","566","2","566","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ca2 F H7 Ir O7 -","- Ca2 F H7 Ir O7 -","- Ca8 F4 H28 Ir4 O28 -","4","0.25","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.0379","0.0188","","","0.0443","0.0478","","","","","","0.91","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515602","5.9657","0.0003","10.9919","0.0004","6.0097","0.0003","90","","112.903","0.006","90","","363.01","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 Ir O8 Sr2 -","- H8 Ir O8 Sr2 -","- H16 Ir2 O16 Sr4 -","2","0.5","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.029","0.0234","","","0.0533","0.0546","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515603","8.7047","0.0002","15.6298","0.0003","9.3874","0.0002","90","","115.922","0.001","90","","1148.68","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Al N3 -","- C8 H22 Al N3 -","- C32 H88 Al4 N12 -","4","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0461","0.0355","","","0.0941","0.1002","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515604","14.6013","0.0003","15.486","0.0003","8.6751","0.0002","90","","122.28","0.03","90","","1658.4","0.6","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Al2 N2 -","- C12 H32 Al2 N2 -","- C48 H128 Al8 N8 -","4","0.5","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0503","0.0379","","","0.0999","0.1083","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515605","19.5895","0.0006","19.5895","0.0006","31.1522","0.0008","90","","90","","120","","10353","0.5","260","2","260","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H36 B3 N3 -","- C12 H36 B3 N3 -","- C288 H864 B72 N72 -","24","4","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1696","0.1236","","","0.3639","0.3858","","","","","","1.429","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515606","29.3467","0.0005","29.3467","0.0005","14.9405","0.0004","90","","90","","120","","11143.3","0.4","180","2","180","2","","","","","","","","6","P 63","P 6c","173","","","","- C37 H113 B4 N9 O Si12 -","- C37 H113 B4 N9 O Si12 -","- C222 H678 B24 N54 O6 Si72 -","6","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1667","0.1235","","","0.3072","0.3335","","","","","","2.198","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515612","21.1146","0.0006","32.0756","0.001","12.6836","0.0004","90","","90","","90","","8590.1","0.5","150","2","150","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C12 H154 N6 Na18 O165 Te8 W28 -","- C7 N3.8 Na13.4 O163.9 Te8 W28 -","- C14 N7.6 Na26.8 O327.8 Te16 W56 -","2","0.25","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.0737","0.0475","","","0.1187","0.1317","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515613","19.7207","0.0004","37.8627","0.0011","22.6396","0.0004","90","","104.374","0.002","90","","16375.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H130 K24 O177 Te8 W28 -","- K23.2 O150.878 Te8 W28 -","- K92.8 O603.512 Te32 W112 -","4","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.1251","0.0681","","","0.1189","0.1452","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515614","19.3418","0.0008","21.0639","0.001","22.8563","0.0011","104.296","0.004","91.843","0.004","92.426","0.004","9006.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H79 Na26 O152 Te9 W28 -","- Na12.85 O150.95 Te9 W28 -","- Na25.7 O301.9 Te18 W56 -","2","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.1443","0.0719","","","0.1659","0.2026","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515615","32.5176","0.0006","20.937","0.0003","27.2721","0.0004","90","","102.804","0.002","90","","18105.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Cl H142 Na27 O186 Te9 W28 -","- Cl Na21.9 O151.8 Te9 W28 -","- Cl4 Na87.6 O607.2 Te36 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54184","CuKα","","0.0704","0.0566","","","0.1484","0.1618","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515616","34.873","0.0001","18.6557","0.0003","27.5438","0.0008","90","","105.384","0.004","90","","17277.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H90 Na28 O163 Te10 W28 -","- Na16.4 O153 Te9.5 W28 -","- Na65.6 O612 Te38 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.0781","0.0485","","","0.1205","0.1273","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515617","8.5144","0.0008","8.9709","0.0008","13.415","0.0013","92.829","0.001","103.59","0.001","102.048","0.001","968.8","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C54 H40 O4 -","2","1","","Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A.","Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone","Chemical Science","2011","2","8","1497","","10.1039/c1sc00184a","","","0.71073","MoKα","","0.0499","0.0457","","","0.1202","0.1233","","","","","","1.082","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515618","7.0652","0.0001","11.0639","0.0002","22.775","0.0005","90","","90","","90","","1780.29","0.06","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C76 H64 I4 N4 O12 -","4","1","","Leon, Rafael; Jawalekar, Anup; Redert, Thomas; Gaunt, Matthew J.","Catalytic enantioselective assembly of complex molecules containing embedded quaternary stereogenic centres from simple anisidine derivatives","Chemical Science","2011","2","8","1487","","10.1039/c1sc00218j","","","0.71073","MoKα","","0.0225","0.0212","","","0.0539","0.0548","","","","","","1.179","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515619","13.445","0.0007","9.4054","0.0005","14.8518","0.0007","90","","117.218","0.004","90","","1670.14","0.16","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LTP196","","","- C16 H18 Cl N O2 Pd S -","- C16 H18 Cl N O2 Pd S -","- C64 H72 Cl4 N4 O8 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0335","0.0257","","","0.0598","0.0637","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515620","13.1411","0.0006","18.9878","0.001","8.625","0.0004","90","","106.879","0.002","90","","2059.4","0.17","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LTP198","","","- C20 H26 N O4.5 Pd S -","- C20 H26 N O4.5 Pd S -","- C80 H104 N4 O18 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0472","0.0311","","","0.0649","0.0744","","","","","","1.075","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515621","34.486","0.003","11.34","0.0009","24.7183","0.0019","90","","117.519","0.002","90","","8572.9","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H86 N22 O23 -","- C75 H86 N22 O23 -","- C300 H344 N88 O92 -","4","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.1117","0.0784","","","0.2192","0.2368","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515622","13.477","0.004","15.019","0.004","17.319","0.005","98.171","0.005","109.671","0.004","102.737","0.005","3129.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0757","0.0665","","","0.1526","0.1577","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515623","12.36","0.003","14.699","0.004","15.587","0.004","70.114","0.004","82.103","0.004","66.078","0.004","2434.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0736","0.0673","","","0.1753","0.1805","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515624","29.168","0.006","27.741","0.006","20.935","0.004","90","","114.17","0.03","90","","15455","7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C154 H167 N6 O63.5 S10 -","- C154 H116 N6 O63.5 S10 -","- C616 H464 N24 O254 S40 -","4","0.5","","Guo, Dong-Sheng; Uzunova, Vanya D.; Su, Xin; Liu, Yu; Nau, Werner M.","Operational calixarene-based fluorescent sensing systems for choline and acetylcholine and their application to enzymatic reactions","Chemical Science","2011","2","9","1722","","10.1039/c1sc00231g","","","0.71073","MoKα","","0.1952","0.1235","","","0.3175","0.3744","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515625","13.4133","0.0009","13.4133","0.0009","92.656","0.012","90","","90","","120","","14437","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 B6 Cl12 N12 O12 -","- C90 H48 B6 Cl12 N12 O12 -","- C540 H288 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","0.71073","MoKα","","0.09","0.0761","","","0.1394","0.1452","","","","","","1.264","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515626","14.3139","0.0009","14.3139","0.0009","30.848","0.002","90","","90","","120","","5473.6","0.6","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C114 H60 B6 Cl12 N12 O12 -","- C114 H60 B6 Cl12 N12 O12 -","- C228 H120 B12 Cl24 N24 O24 -","2","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0975","0.0465","","","0.1081","0.121","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515627","13.5162","0.0006","13.5162","0.0006","93.155","0.005","90","","90","","120","","14738.3","1.2","293","2","0","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H60 B6 Cl12 N12 O12 -","- C108 H60 B6 Cl12 N12 O12 -","- C648 H360 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0763","0.0459","","","0.1195","0.1307","","","","","","0.809","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515628","13.5417","0.0003","13.5417","0.0003","118.223","0.007","90","","90","","120","","18775","1.3","270","2","270","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H84 B6 Cl12 N12 O12 -","- C144 H84 B6 Cl12 N12 O12 -","- C864 H504 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0592","0.0555","","","0.1554","0.1587","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515629","6.24573","0.00008","7.2874","0.0001","37.2516","0.0005","90","","90","","90","","1695.51","0.04","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","1","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","x-ray","1.5418","CuKα","","0.0264","0.0258","","","0.0713","0.0717","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515630","24.8014","0.0016","24.8014","0.0016","6.835","0.0009","90","","90","","120","","3641","0.6","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","","0.71073","MoKα","","0.0357","0.0344","","","0.0828","0.0834","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515631","25.1026","0.0013","25.1026","0.0013","25.1026","0.0013","90","","90","","90","","15818.2","1.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C132 H180 Cl12 Co8 N72 O4 -","- C132 H180 Cl12 Co8 N72 O3.6 -","- C528 H720 Cl47.9999 Co32 N288 O14.4 -","4","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.0711","0.0493","","","0.1349","0.1495","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515632","17.758","0.005","19.38","0.003","24.772","0.006","90","","90.257","0.016","90","","8525","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Br12 Co8 N72 O18 -","- C132 H156 Br12 Co8 N72 O17.92 -","- C264 H312 Br24 Co16 N144 O35.84 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1959","0.0826","","","0.1984","0.2615","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515633","28.55","0.002","22.5268","0.0019","19.4189","0.0016","90","","131.977","0.003","90","","9284.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C138 H156 Cl16 Co10 N72 O11.5 S3 -","- C138 H156 Cl16 Co10 N72 O11.52 S3 -","- C276 H312 Cl32 Co20 N144 O23.04 S6 -","2","0.25","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.174","0.0833","","","0.2286","0.2748","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515634","20.155","0.005","19.422","0.005","22.792","0.006","90","","90.221","0.002","90","","8922","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Co8 N84 O58.5 -","- C132 H156 Co8 N84 O58.5 -","- C264 H312 Co16 N168 O117 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1293","0.0782","","","0.1921","0.2213","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515635","31.693","0.006","20.047","0.004","32.309","0.007","90","","109.5","0.03","90","","19350","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C138 H178 B12 Co8 F48 N74 O16.75 -","- C138 H178 B12 Co8 F48 N74 O16.86 -","- C552 H712 B48 Co32 F192 N296 O67.44 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1715","0.0789","","","0.1871","0.2358","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515636","33.008","0.008","19.253","0.005","32.654","0.007","90","","116.116","0.005","90","","18633","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H168 Cl12 Co8 N72 O40 -","- C132 H168 Cl12 Co8 N72 O39.96 -","- C528 H672 Cl48 Co32 N288 O159.84 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1305","0.0714","","","0.1662","0.1988","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515637","17.3775","0.0012","17.494","0.0012","24.6892","0.0017","90","","90","","90","","7505.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H88 N32 Ni4 O16 -","- C56 H88 N32 Ni4 O16 -","- C224 H352 N128 Ni16 O64 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1346","0.0702","","","0.1688","0.2018","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515638","12.909","0.002","12.071","0.0019","12.95","0.002","90","","115.858","0.002","90","","1815.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cd N8 O4 -","- C14 H22 Cd N8 O4 -","- C56 H88 Cd4 N32 O16 -","4","1","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","0.71073","MoKα","","0.0406","0.0356","","","0.0933","0.0966","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515639","28.1055","0.0004","28.1055","0.0004","19.1669","0.0006","90","","90","","120","","13111.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132 H126 In8 N84 O39.67 -","- C132 H126 In8 N83.98 O39.96 -","- C396 H378 In24 N251.94 O119.88 -","3","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.086","0.058","","","0.1352","0.1526","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515640","20.3067","0.0009","18.7195","0.0008","24.9104","0.001","90","","93.182","0.001","90","","9454.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H175 Co8 N73 O56 S6 -","- C135 H175 Co8 N73 O55.76 S6 -","- C270 H350 Co16 N146 O111.52 S12 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1367","0.0737","","","0.1794","0.2098","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515641","8.623","","10.307","","10.493","","104.88","","92.7","","101.67","","877.838","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf3a","","","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H40 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0259","0.0253","","","0.0676","0.0699","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515642","8.9348","0.0006","10.504","0.0007","14.0627","0.001","68.984","0.004","77.296","0.004","85.408","0.004","1201.85","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf9a","","","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","1","0.5","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","1.54178","CuKα","","0.0566","0.054","","","0.1395","0.1417","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515643","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515644","9.465","","9.976","","10.631","","108.44","","109.42","","106.27","","810.526","","103","2","103","2","","","","","","","","7","P -1","-P 1","2","xwf-17","","","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H44 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0769","0.0783","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515645","13.3667","0.0017","13.3667","0.0017","10.7152","0.0013","90","","90","","90","","1914.5","0.4","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","xwf23a","","","- C26 H52 Cl4 Fe N6 O4 Re -","- C26 H52 Cl4 Fe N6 O4 Re -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","2","0.25","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0731","0.0764","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515649","10.577","0.002","10.715","0.002","13.367","0.003","106.03","0.03","90.59","0.04","105.44","0.02","1397.7","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","1","0.5","","Lai-Fung Chan, Sharon; Wai-Yin Sun, Raymond; Choi, Mei-Yuk; Zeng, Yibo; Shek, Lam; Sin-Yin Chui, Stephen; Che, Chi-Ming","An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling","Chemical Science","2011","2","9","1788","","10.1039/c1sc00203a","","","0.71073","MoKα","","0.0317","0.0279","","","0.0754","0.0782","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515651","22.3613","0.0006","22.3613","0.0006","8.7343","0.0003","90","","90","","90","","4367.4","0.2","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.042","0.0383","","","0.1005","0.1043","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515652","9.1677","0.0001","11.1135","0.0002","13.3821","0.0002","68.696","0.001","78.909","0.001","81.699","0.001","1242.4","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 B F10 N -","- C27 H22 B F10 N -","- C54 H44 B2 F20 N2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0466","0.045","","","0.1171","0.1184","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515653","18.5936","0.0009","9.2952","0.0006","26.1791","0.0017","90","","104.988","0.003","90","","4370.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 B F10 N -","- C23 H20 B F10 N -","- C184 H160 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.1085","0.0581","","","0.1251","0.1434","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515654","13.6638","0.0003","16.1258","0.0005","16.855","0.0006","90","","111.633","0.001","90","","3452.24","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B F10 N -","- C38 H34 B F10 N -","- C152 H136 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0627","0.0546","","","0.1508","0.1589","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515655","18.8907","0.0006","17.3259","0.0006","16.9954","0.0006","90","","105.094","0.003","90","","5370.7","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B F10 N -","- C28 H28 B F10 N -","- C224 H224 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0463","0.0409","","","0.1093","0.1143","","","","","","1.014","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515656","8.9726","0.0004","13.4786","0.0006","24.6543","0.0017","90","","93.952","0.004","90","","2974.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B F10 N -","- C33 H24 B F10 N -","- C132 H96 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0855","0.0501","","","0.1222","0.1557","","","","","","1.106","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515657","17.8309","0.0007","21.5961","0.001","12.2832","0.0003","90","","90","","90","","4730","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C25 H20 B F10 N -","- C25 H20 B F10 N -","- C200 H160 B8 F80 N8 -","8","","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0413","0.038","","","0.0984","0.1023","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515658","12.1379","0.0004","14.0463","0.0005","13.5423","0.0005","90","","105.934","0.002","90","","2220.15","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F10 N -","- C23 H22 B F10 N -","- C92 H88 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0395","0.0366","","","0.0967","0.0996","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515659","10.9724","0.0004","11.3362","0.0005","16.996","0.0007","90","","90","","90","","2114.05","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0397","0.0367","","","0.0893","0.0917","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515660","9.428","0.0004","11.0909","0.0006","14.6744","0.0008","108.637","0.003","96.263","0.003","105.831","0.002","1366.01","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B F10 N O -","- C30 H26 B F10 N O -","- C60 H52 B2 F20 N2 O2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0516","0.0442","","","0.1077","0.1137","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515661","20.3695","0.0008","9.2993","0.0007","21.591","0.001","90","","114.314","0.002","90","","3727.1","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 B F10 N O -","- C43 H38 B F10 N O -","- C172 H152 B4 F40 N4 O4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0828","0.0539","","","0.1336","0.1574","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515662","12.363","0.005","6.388","0.003","17.867","0.008","90","","98.728","0.004","90","","1394.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","2","","Li, Hui; Zhang, Fu-Min; Tu, Yong-Qiang; Zhang, Qing-Wei; Chen, Zhi-Min; Chen, Zhi-Hua; Li, Jian","Enantioselective bromination/semipinacol rearrangement for the synthesis of β-bromoketones containing an all-α-carbon quaternary center","Chemical Science","2011","2","9","1839","","10.1039/c1sc00295c","","","0.71073","MoKα","","0.0925","0.0473","","","0.0779","0.0901","","","","","","0.935","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515663","11.0022","0.0005","11.7354","0.0006","18.0634","0.001","90.254","0.003","94.779","0.003","117.609","0.003","2057.05","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","1","0.5","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.71073","MoKα","","0.0314","0.0295","","","0.0659","0.0666","","","","","","1.204","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515664","30.0251","0.0006","15.6531","0.0003","22.4759","0.0004","90","","103.691","0.002","90","","10263.2","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H162 N9 O3 Si18 U3 -","- C57 H162 N9 O3 Si18 U3 -","- C228 H648 N36 O12 Si72 U12 -","4","1","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.7107","MoKα","","0.1118","0.0654","","","0.164","0.1752","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515665","36.218","0.007","12.304","0.003","31.224","0.01","90","","122.397","0.005","90","","11749","5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 B F20 N2 O2 P Zr -","- C57 H60 B F20 N2 O2 P Zr -","- C456 H480 B8 F160 N16 O16 P8 Zr8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1266","0.0587","","","0.1238","0.1425","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515666","11.6507","0.0006","13.7877","0.0006","19.5448","0.0008","90","","90","","90","","3139.6","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B F12 N2 O P -","- C30 H30 B F12 N2 O P -","- C120 H120 B4 F48 N8 O4 P4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0803","0.0856","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515667","11.691","0.0005","12.8326","0.0005","13.5442","0.0006","63.637","0.002","88.082","0.002","72.341","0.002","1722.62","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","1","0.5","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0664","0.0477","","","0.1264","0.1337","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515668","19.5019","0.001","16.3963","0.0007","21.7273","0.0011","90","","90","","90","","6947.5","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 B F12 N2 O P -","- C36 H36 B F12 N2 O P -","- C288 H288 B8 F96 N16 O8 P8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0768","0.0421","","","0.0894","0.1042","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515669","9.5346","0.0005","21.1476","0.0009","17.6877","0.0008","90","","102.604","0.001","90","","3480.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B Cl F3 O P2 -","- C37 H47 B Cl F3 O P2 -","- C148 H188 B4 Cl4 F12 O4 P8 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.06","0.0437","","","0.1075","0.1165","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515670","12.3838","0.0003","12.5415","0.0003","18.4913","0.0005","94.703","0.001","103.546","0.001","101.734","0.001","2708.21","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42 B F20 N2 O P -","- C55 H42 B F20 N2 O P -","- C110 H84 B2 F40 N4 O2 P2 -","2","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0659","0.0423","","","0.101","0.108","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515671","15.6655","0.0007","12.5681","0.0006","21.5094","0.001","90","","93.812","0.002","90","","4225.5","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 B F15 N2 O P Zr -","- C42 H43 B F15 N2 O P Zr -","- C168 H172 B4 F60 N8 O4 P4 Zr4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1077","0.0576","","","0.13","0.149","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515672","39.2048","0.0018","39.2048","0.0018","39.2048","0.0018","90","","90","","90","","60258","5","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C120 H60 Cd13 O66 S24 -","- C120 H24 Cd13 O66 S24 -","- C960 H192 Cd104 O528 S192 -","8","0.0416667","","Yuan, Daqiang; Zhao, Dan; Timmons, Daren J.; Zhou, Hong-Cai","A stepwise transition from microporosity to mesoporosity in metal‒organic frameworks by thermal treatment","Chemical Science","2011","2","1","103","","10.1039/c0sc00320d","","","0.71073","MoKα","","0.073","0.0648","","","0.1561","0.1621","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515673","13.668","0.0006","12.3175","0.0006","24.2737","0.0012","90","","100.887","0.002","90","","4013.1","0.3","173","","173","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C40.25 H36.5 Cl0.5 N10 -","- C40.25 H36.5 Cl0.5 N10 -","- C161 H146 Cl2 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.1311","0.0746","","","0.1737","0.207","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515674","14.1265","0.0002","21.8947","0.0004","15.3826","0.0003","90","","93.6655","0.0009","90","","4748.04","0.14","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N10 -","- C52 H60 N10 -","- C208 H240 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.0949","0.0642","","","0.1729","0.1966","","","","","","1.155","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515675","6.9683","0.0013","21.374","0.004","12.566","0.003","90","","91.091","0.001","90","","1871.2","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","0.71073","MoKα","","0.0748","0.0471","","","0.1119","0.1252","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515676","12.6837","0.0003","8.7119","0.0003","13.9765","0.0004","90","","110.965","0.001","90","","1442.15","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O5 S -","- C11 H19 N O5 S -","- C44 H76 N4 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","1.54178","CuKα","","0.0692","0.065","","","0.1919","0.1965","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515677","35.8601","0.0011","6.0216","0.0002","23.1924","0.0006","90","","111.979","0.001","90","","4644.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H29.5 Cl1.5 N O2 S -","- C25.5 H29.5 Cl1.5 N O2 S -","- C204 H236 Cl12 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.077","0.0592","","","0.1641","0.1786","","","","","","1.053","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515678","8.962","0.0007","10.4716","0.0007","12.3795","0.001","90","","100.903","0.003","90","","1140.8","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C56 H58 N2 O4 S2 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0493","0.0432","","","0.1153","0.1227","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515679","13.6368","0.0012","7.9693","0.0008","21.253","0.0017","90","","97.724","0.002","90","","2288.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C108 H108 N4 O8 S4 -","4","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0563","0.0483","","","0.1327","0.1393","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515680","52.0309","0.0019","6.2004","0.0002","16.2321","0.0006","90","","98.15","0.002","90","","5183.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N O2 S -","- C33 H31 N O2 S -","- C264 H248 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0464","0.0396","","","0.1089","0.1219","","","","","","1.103","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515681","34.3459","0.0017","11.0908","0.0006","12.4392","0.0005","90","","90","","90","","4738.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0676","0.048","","","0.126","0.1386","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515682","10.0661","0.0009","11.2303","0.0012","12.7093","0.0012","108.467","0.005","92.142","0.005","102.893","0.005","1319.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 O4 S2 -","- C32 H32 O4 S2 -","- C64 H64 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0495","0.0412","","","0.1105","0.1158","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515683","10.7285","0.0012","10.9833","0.0012","13.0463","0.0012","111.389","0.005","92.772","0.005","103.536","0.006","1376.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O4 S2 -","- C33 H34 O4 S2 -","- C66 H68 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.1108","0.0729","","","0.1838","0.21","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515684","35.624","0.0018","20.7297","0.001","25.0866","0.0013","90","","101.416","0.001","90","","18159.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C448 H888 Co32 Gd32 N16 O292 P32 -","4","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.1258","0.0815","","","0.1849","0.2154","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515685","22.622","0.003","11.63","0.0017","30.189","0.004","90","","97.612","0.002","90","","7872.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H198 Co8 Gd4 O50 P6 -","- C104 H198 Co8 Gd4 O50 P6 -","- C208 H396 Co16 Gd8 O100 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.2075","0.1227","","","0.271","0.319","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515686","13.55","0.0013","29.003","0.003","18.2506","0.0017","90","","97.588","0.002","90","","7109.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C232 H348 Co8 Gd12 N4 O92 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.0804","0.066","","","0.1776","0.1909","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515687","14.7192","0.0007","20.6103","0.0009","21.1775","0.0009","90","","90","","90","","6424.6","0.5","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H88 Cl2 N8 O5 Zr2 -","- C64 H88 Cl2 N8 O5 Zr2 -","- C256 H352 Cl8 N32 O20 Zr8 -","4","1","","Nguyen, Andy I.; Zarkesh, Ryan A.; Lacy, David C.; Thorson, Megan K.; Heyduk, Alan F.","Catalytic nitrene transfer by a zirconium(iv) redox-active ligand complex","Chemical Science","2011","2","1","166","","10.1039/c0sc00414f","","","0.71073","MoKα","","0.0518","0.0376","","","0.0829","0.0892","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515688","19.6876","0.0005","18.0489","0.0004","24.2236","0.0007","90","","104.85","0.0009","90","","8320.1","0.4","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H50 B2 F48 Pt3 -","- C84 H50 B2 F48 Pt3 -","- C336 H200 B8 F192 Pt12 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0525","","","","0.1717","","","","","","1.202","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515689","27.639","0.003","14.661","0.002","17.671","0.002","90","","103.616","0.002","90","","6959.3","1.4","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H70 B F4 N P4 Pt2 -","- C81 H60 B F4 N P4 Pt2 -","- C324 H240 B4 F16 N4 P16 Pt8 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0494","","","","0.1489","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515690","13.742","0.001","20.974","0.002","14.377","0.002","90","","99.419","0.003","90","","4087.9","0.8","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 B F4 P2 Pt -","- C49 H27 B F4 P2 Pt -","- C196 H108 B4 F16 P8 Pt4 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0767","","","","0.2191","","","","","","1.288","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515691","12.3189","0.0005","15.2911","0.0006","16.4704","0.0005","97.219","0.001","90.674","0.001","105.503","0.001","2962.6","0.19","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H41 B Cl2 F30 Pt3 -","- C60 H41 B Cl2 F30 Pt3 -","- C120 H82 B2 Cl4 F60 Pt6 -","2","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0561","","","","0.1575","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515692","11.4558","0.0004","19.1713","0.0007","25.517","0.001","90","","103.809","0.001","90","","5442.1","0.3","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 B F24 Pt3 -","- C56 H39 B F24 Pt3 -","- C224 H156 B4 F96 Pt12 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0454","","","","0.0563","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515962","18.5474","0.0014","18.5474","0.0014","18.5474","0.0014","90","","90","","90","","6380.4","0.8","298","2","298","2","","","","","","","synthesis","4","P n -3 n","-P 4a 2bc 3","222","","","","- C120 H84 N48 Zn12 -","- C120 H72 N48 O6 Zn12 -","- C240 H144 N96 O12 Zn24 -","2","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515963","15.55503","0.00099","15.55503","0.00099","20.0304","0.0016","90","","90","","90","","4846.5","0.6","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C34 H38 N12 O6 Zn3 -","- C27 H17 N12 Zn3 -","- C108 H68 N48 Zn12 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515964","15.4625","0.0013","15.4625","0.0013","20.0474","0.0022","90","","90","","90","","4793.1","0.8","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C38 H70 Co3 N12 O18 -","- C27 H17 Co3 N12 -","- C108 H68 Co12 N48 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515965","18.80701","0.00076","18.80701","0.00076","18.80701","0.00076","90","","90","","90","","6652.1","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C38 H70 Cu3 N12 O18 -","- C30 H18 Cu3 N12 O3 -","- C120 H72 Cu12 N48 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515966","18.54898","0.00083","18.54898","0.00083","18.54898","0.00083","90","","90","","90","","6382","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C33 H50 N12 Ni3 O13 -","- C30 H18 N12 Ni3 O3 -","- C120 H72 N48 Ni12 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515967","12.0405","0.0003","17.1549","0.0004","10.0631","0.0003","90","","90.406","0.001","90","","2078.52","0.09","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N2 O3 -","- C23 H23 N2 O3 -","- C92 H92 N8 O12 -","4","1","","Graham, Thomas J. A.; Shields, Jason D.; Doyle, Abigail G.","Transition metal-catalyzed cross coupling with N-acyliminium ions derived from quinolines and isoquinolines","Chemical Science","2011","2","5","980","","10.1039/c1sc00026h","","","0.71073","MoKα","","0.058","0.0479","","","0.1272","0.1376","","","","","","1.018","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""