# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T03:10:57+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Communications (Cambridge, United Kingdom)') AND volume = 51 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
"7116313","7.7401","0.0004","14.0157","0.001","14.8926","0.001","90","","91.699","0.005","90","","1614.88","0.18","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O3 S -","- C17 H14 Cl N O3 S -","- C68 H56 Cl4 N4 O12 S4 -","4","2","","An, Qianjin; Li, Jing; Shen, Jiefeng; Butt, Nicholas; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Asymmetric tandem reactions of N-sulfonylimines and α,β-unsaturated aldehydes: an alternative reaction pathway to that of using saturated aldehydes","Chemical Communications (Cambridge, United Kingdom)","2015","51","5","885","888","10.1039/c4cc07051h","","","0.71073","MoKα","","0.0899","0.0629","","","0.1593","0.1783","","","","","","0.985","","","","has coordinates","211014","2020-10-21","18:00:00",""
"7116452","8.153","0.009","8.436","0.008","10.959","0.01","86.72","0.03","72.91","0.02","72.86","0.02","688.1","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C30 H32 O8 -","2","1","","Li, Xing Guang; Sun, Min; Liu, Kai; Jin, Qiao; Liu, Pei Nian","Rh(III)-catalyzed C‒H activation/cyclization of benzamides and diazo compounds to form isocoumarins and α-pyrones","Chemical Communications (Cambridge, United Kingdom)","2015","51","12","2380","2383","10.1039/c4cc09314c","","","0.71073","MoKα","","0.1073","0.0468","","","0.112","0.1336","","","","","","0.898","","","","has coordinates","210856","2020-10-21","18:00:00",""
"7116517","15.2564","0.0006","16.7125","0.0007","19.1312","0.0007","65.429","0.001","88.953","0.001","74.258","0.001","4244.9","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H102 Cl N O21 P4 -","- C79 H86 Cl N O21 P4 -","- C158 H172 Cl2 N2 O42 P8 -","2","1","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1054","0.0767","","","0.2327","0.2616","","","","","","1.035","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116518","14.352","0.001","15.283","0.001","19.944","0.001","104.22","0.001","95.842","0.001","90.923","0.001","4214.7","0.5","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H108 Cl N O19 P4 -","- C84 H102 Cl N O19 P4 -","- C168 H204 Cl2 N2 O38 P8 -","2","1","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1033","0.0799","","","0.2102","0.2237","","","","","","1.071","","","","has coordinates,has disorder","209678","2020-10-21","18:00:00",""
"7116519","14.085","0.002","20.896","0.002","28.155","0.003","90","","98.184","0.002","90","","8202.2","1.7","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79.5 H93 Cl N O16 P4 -","- C79.5 H90 Cl N O16 P4 -","- C318 H360 Cl4 N4 O64 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1999","0.0915","","","0.2281","0.2928","","","","","","0.969","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116520","15.316","0.002","16.319","0.002","19.612","0.002","66.028","0.002","77.507","0.002","74.353","0.005","4281.2","0.9","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C78 H88 Cl N O15 P4 -","- C78 H84 Cl N O15 P4 -","- C156 H168 Cl2 N2 O30 P8 -","2","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.2142","0.121","","","0.3039","0.3714","","","","","","1.056","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116521","13.9589","0.0006","37.935","0.002","15.3453","0.0006","90","","91.459","0.001","90","","8123.2","0.6","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78.5 H93 Cl N O17 P4 -","- C78.5 H85.5 Cl N O17 P4 -","- C314 H342 Cl4 N4 O68 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1304","0.0804","","","0.2117","0.2463","","","","","","1.006","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116522","13.917","0.002","37.798","0.006","15.357","0.002","90","","91.273","0.002","90","","8076","2","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H90 Cl N O15 P4 -","- C79 H83 Cl N O15 P4 -","- C316 H332 Cl4 N4 O60 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.2799","0.1144","","","0.2672","0.3578","","","","","","0.999","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116523","13.898","0.002","37.849","0.005","15.383","0.002","90","","91.633","0.002","90","","8088.6","1.9","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78.5 H90 Cl N O15.5 P4 -","- C78.5 H86 Cl N O15.5 P4 -","- C314 H344 Cl4 N4 O62 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1644","0.0933","","","0.2468","0.2951","","","","","","1.009","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116556","63.4959","0.001","38.2021","0.0007","71.4099","0.0011","90","","114.799","0.002","90","","157244","5","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","({[nPr2NH2][Cr7NiF8(O2CCtBu)14(O2CC5H4N)2]}3{[Fe2CoO(O2CtBu)6]}2)n","","- C324 H558 Co2 Cr21 F24 Fe4 N9 Ni3 O122 -","- C324 H558 Co1.9998 Cr21 F24 Fe4.0002 N9 Ni3 O122 -","- C2592 H4464 Co15.9984 Cr168 F192 Fe32.0016 N72 Ni24 O976 -","8","1","","Whitehead, George F. S.; Teat, Simon J.; Gagnon, Kevin J.; Timco, Grigore A.; Winpenny, Richard E. P.","An extended framework of cages formed of pre-synthesised and functionalised heterometallic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3533","3536","10.1039/c4cc10035b","","x-ray","1.0333","synchrotron","","0.1471","0.1083","","","0.2921","0.3323","","","","","","1.276","","","","has coordinates","211013","2020-10-21","18:00:00",""
"7116562","15.0354","0.0013","6.2653","0.0005","36.895","0.003","90","","90","","90","","3475.6","0.5","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 O5 Si -","- C15 H26 O5 Si -","- C120 H208 O40 Si8 -","8","2","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0327","0.031","","","0.0855","0.0866","","","","","","1.058","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116563","7.353","0.002","12.521","0.004","13.79","0.004","109.346","0.003","90.415","0.004","98.193","0.003","1183.7","0.6","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","2","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0621","0.0424","","","0.1045","0.1149","","","","","","1.017","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116564","14.836","0.0015","9.2966","0.001","18.3676","0.0019","90","","113.488","0.001","90","","2323.4","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 O5 Si -","- C22 H36 O5 Si -","- C88 H144 O20 Si4 -","4","1","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0426","0.0352","","","0.0856","0.09","","","","","","1.037","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116565","18.69","0.003","26.43","0.004","43.505","0.007","90","","97.138","0.003","90","","21324","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H106 F12 N4 O22 P2 -","- C89 H106 F12 N4 O22 P2 -","- C712 H848 F96 N32 O176 P16 -","8","1","","Wang, Qi; Cheng, Ming; Zhao, Yue; Wu, Lin; Jiang, Juli; Wang, Leyong; Pan, Yi","A pillar[5]arene-fused cryptand: from orthogonal self-assembly to supramolecular polymer","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3623","3626","10.1039/c5cc00130g","","","0.71073","MoKα","","0.166","0.0796","","","0.2183","0.2479","","","","","","0.917","","","","has coordinates","211005","2020-10-21","18:00:00",""
"7116566","16.6036","0.0003","17.8851","0.0003","18.2024","0.0003","90","","90","","90","","5405.33","0.16","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Sm2 -","- C64 H76 N4 Sm2 -","- C256 H304 N16 Sm8 -","4","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","x-ray","0.71073","MoKα","","0.0774","0.0526","","","0.1312","0.162","","","","","","1.229","","","","has coordinates","210894","2020-10-21","18:00:00",""
"7116567","10.225","0.001","12.304","0.001","20.627","0.001","87.677","0.001","87.886","0.001","83.688","0.001","2575.8","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C120 H164 N4 Sm2 -","- C92 H132 N4 Sm2 -","- C92 H132 N4 Sm2 -","1","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","","0.71069","MoKα","","0.066","0.0563","","","0.1387","0.1456","","","","","","1.132","","","","has coordinates","210894","2020-10-21","18:00:00",""
"7116568","10.9726","0.0002","18.7116","0.0003","19.7467","0.0003","90","","91.3117","0.0009","90","","4053.23","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H136 N4 O4.5 Sm2 -","- C76 H100 N4 Sm2 -","- C152 H200 N8 Sm4 -","2","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","","0.71069","MoKα","","0.0654","0.0482","","","0.1082","0.1168","","","","","","1.068","","","","has coordinates,has disorder","210894","2020-10-21","18:00:00",""
"7116569","10.148","0.001","12.286","0.001","20.481","0.001","87.531","0.001","88.273","0.001","84.59","0.001","2538.9","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C113 H156 N4 Tm2 -","- C92 H132 N4 Tm2 -","- C92 H132 N4 Tm2 -","1","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","","0.71069","MoKα","","0.0805","0.0644","","","0.1498","0.1597","","","","","","1.08","","","","has coordinates,has disorder","210894","2020-10-21","18:00:00",""
"7116591","16.0973","0.0018","18.0969","0.0019","20.125","0.002","90.43","0.005","113.25","0.005","99.817","0.005","5289.5","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Ru-G","","- C45 H62 N4 O9 Ru -","- C45 H62 N4 O9 Ru -","- C180 H248 N16 O36 Ru4 -","4","2","","Ivry, Elisa; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Amino acids as chiral anionic ligands for ruthenium based asymmetric olefin metathesis","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3870","3873","10.1039/c5cc00052a","","","0.71073","MoKα","","0.1283","0.0851","","","0.2068","0.2245","","","","","","1.077","","","","has coordinates","211004","2020-10-21","18:00:00",""
"7116592","22.4956","0.001","22.4956","0.001","37.984","0.003","90","","90","","90","","19221.9","1.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ge3.88 In22.12 O Se50 -","- Ge3.84 In22.16 O Se50 -","- Ge15.36 In88.64 O4 Se200 -","4","0.25","","Han, Xiaohui; Xu, Jin; Wang, Zhenqing; Liu, Dan; Wang, Cheng","A hybrid linkage mode between T2,2 and T3 selenide clusters","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3919","3922","10.1039/c5cc00084j","","","0.71073","MoKα","","0.1548","0.0691","","","0.2078","0.2609","","","","","","1.043","","","","has coordinates","211003","2020-10-21","18:00:00",""
"7116593","31.0248","0.001","31.0248","0.001","42.9572","0.0017","90","","90","","120","","35808","2","100","0.1","100","0.1","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C432 H360 B28 F112 N72 O0 Pd6 Zn8 -","- C432 H360 B26 F104 N72 Pd6 Zn8 -","- C864 H720 B52 F208 N144 Pd12 Zn16 -","2","0.166667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.1254","0.0986","","","0.2846","0.3192","","","","","","1.193","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116594","25.9101","0.0003","25.9101","0.0003","25.9101","0.0003","90","","90","","90","","17394.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P 4 3 2","P 4 2 3","207","","","","- C456 H408 B28 F112 N72 O0 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","1","0.0416667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.105","0.0763","","","0.2291","0.2642","","","","","","0.883","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116595","25.9709","0.0003","25.9709","0.0003","25.9709","0.0003","90","","90","","90","","17517.1","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P 4 3 2","P 4 2 3","207","","","","- C456 H408 B28 F112 N72 O0 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","1","0.0416667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.0875","0.0736","","","0.1931","0.2047","","","","","","1.003","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116596","15.67","0.0002","16.5072","0.0003","21.2401","0.0004","90","","96.244","0.002","90","","5461.54","0.16","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H40 Cl2 N4 O7 Re2 -","- C67 H40 Cl2 N4 O7 Re2 -","- C268 H160 Cl8 N16 O28 Re8 -","4","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0803","0.0381","","","0.0697","0.0749","","","","","","0.868","","","","has coordinates","210896","2020-10-21","18:00:00",""
"7116597","10.854","0.0002","24.7778","0.0003","13.4316","0.0002","90","","110.589","0.002","90","","3381.54","0.1","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B Cl4 F4 N3 O3 Re -","- C32 H23 B Cl4 F4 N3 O3 Re -","- C128 H92 B4 Cl16 F16 N12 O12 Re4 -","4","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0386","0.0249","","","0.0616","0.0647","","","","","","1.044","","","","has coordinates","210896","2020-10-21","18:00:00",""
"7116598","22.7551","0.0003","54.882","0.001","11.6412","0.0002","90","","90","","90","","14538.1","0.4","140","2","140","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C36.5 H25 Cl3 F6 N3 O3 P Re -","- C36.5 H25 Cl3 F6 N3 O3 P Re -","- C584 H400 Cl48 F96 N48 O48 P16 Re16 -","16","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0373","0.032","","","0.0775","0.079","","","","","","0.937","","","","has coordinates,has disorder","210896","2020-10-21","18:00:00",""
"7116611","8.3971","0.0003","12.4057","0.0004","17.927","0.0006","90","","90","","90","","1867.49","0.11","100","","100.11","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 Zr -","- C24 H24 Zr -","- C96 H96 Zr4 -","4","0.5","","Thapa, Surendra; Basnet, Prakash; Gurung, Santosh K.; Giri, Ramesh","Copper-catalysed cross-coupling of arylzirconium reagents with aryl and heteroaryl iodides","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4009","4012","10.1039/c5cc00116a","","","0.71073","MoKα","","0.0219","0.0187","","","0.0493","0.0521","","","","","","1.042","","","","has coordinates","211002","2020-10-21","18:00:00",""
"7116612","10.5213","0.0016","12.6202","0.0019","15.122","0.002","96.136","0.004","98.791","0.004","96.912","0.005","1953.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Cs2 H30.8 K10 Nb12 O65.4 Pt2 -","- Cs2 K10 Nb12 O65.4 Pt2 -","- Cs2 K10 Nb12 O65.4 Pt2 -","1","0.5","","Abramov, P. A.; Vicent, C.; Kompankov, N. B.; Gushchin, A. L.; Sokolov, M. N.","Platinum polyoxoniobates","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4021","4023","10.1039/c5cc00315f","","x-ray","0.71073","MoKα","","0.1015","0.082","","","0.2189","0.2301","","","","","","1.128","","","","has coordinates,has disorder","210897","2020-10-21","18:00:00",""
"7116613","18.1811","0.0006","18.1811","0.0006","18.1811","0.0006","90","","90","","90","","6009.8","0.3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- H36 K10 Na2 Nb12 O56 Pt -","- K9.999 Na2 Nb12 O56 Pt -","- K39.996 Na8 Nb48 O224 Pt4 -","4","0.166667","","Abramov, P. A.; Vicent, C.; Kompankov, N. B.; Gushchin, A. L.; Sokolov, M. N.","Platinum polyoxoniobates","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4021","4023","10.1039/c5cc00315f","","x-ray","0.71073","MoKα","","0.048","0.0394","","","0.1322","0.1429","","","","","","1.073","","","","has coordinates,has disorder","210897","2020-10-21","18:00:00",""
"7116723","18.5724","0.0009","19.0815","0.001","33.6472","0.0016","90","","101.101","0.001","90","","11701.1","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121 H149 N6 O2 P4 Y2 -","- C121 H149 N6 O2 P4 Y2 -","- C484 H596 N24 O8 P16 Y8 -","4","1","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.156","0.0774","","","0.2083","0.2509","","","","","","1.008","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116724","13.164","0.002","18.573","0.003","19.615","0.003","90","","90","","90","","4795.8","1.3","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C48 H56 Lu N3 P2 -","- C48 H56 Lu N3 P2 -","- C192 H224 Lu4 N12 P8 -","4","0.5","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.1568","0.1179","","","0.2619","0.2889","","","","","","1.053","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116725","13.1802","0.0019","18.73","0.003","19.619","0.002","90","","90","","90","","4843.2","1.2","173","2","173","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C108 H112 N6 P4 Y2 -","- C108 H112 N6 P4 Y2 -","- C216 H224 N12 P8 Y4 -","2","0.25","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.2187","0.1346","","","0.2963","0.3451","","","","","","1.038","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116828","8.1943","0.0005","26.8625","0.0017","42.167","0.003","90","","90.213","0.003","90","","9281.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 F12 N12 O12 Zn2 -","- C88 H60 F12 N12 O12 Zn2 -","- C352 H240 F48 N48 O48 Zn8 -","4","1","","Prakasam, Thirumurugan; Lusi, Matteo; Nauha, Elisa; Olsen, John-Carl; Sy, Mohamadou; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Trabolsi, Ali","Dynamic stereoisomerization in inherently chiral bimetallic [2]catenanes","Chemical Communications (Cambridge, United Kingdom)","2015","51","27","5840","5843","10.1039/c4cc07392d","","","0.71073","MoKα","","0.1161","0.0928","","","0.2499","0.2648","","","","","","1.047","","","","has coordinates","210853","2020-10-21","18:00:00",""
"7116829","43.874","0.004","8.3311","0.0009","29.743","0.003","90","","110.065","0.006","90","","10211.8","1.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H68 F18 N12 O13 Zn2 -","- C96 H68 F18 N12 O13 Zn2 -","- C384 H272 F72 N48 O52 Zn8 -","4","1","","Prakasam, Thirumurugan; Lusi, Matteo; Nauha, Elisa; Olsen, John-Carl; Sy, Mohamadou; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Trabolsi, Ali","Dynamic stereoisomerization in inherently chiral bimetallic [2]catenanes","Chemical Communications (Cambridge, United Kingdom)","2015","51","27","5840","5843","10.1039/c4cc07392d","","","1.54178","CuKα","","0.0719","0.0693","","","0.1899","0.1931","","","","","","1.043","","","","has coordinates","210853","2020-10-21","18:00:00",""
"7116868","17.572","0.005","54.043","0.016","9.58","0.003","90","","90","","90","","9098","5","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Er N5 O13 -","- C28 H26 Er N5 O13 -","- C336 H312 Er12 N60 O156 -","12","","","Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran","Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study","Chemical Communications (Cambridge, United Kingdom)","2015","51","28","6137","6140","10.1039/c4cc09523e","","","0.71075","MoKα","","0.094","0.083","","","0.1851","0.1964","","","","","","1.135","","","","has coordinates,has disorder","210899","2020-10-21","18:00:00",""
"7116869","17.439","0.003","54.451","0.011","9.5702","0.0019","90","","90","","90","","9088","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Lu N5 O13 -","- C28 H26 Lu N5 O13 -","- C336 H312 Lu12 N60 O156 -","12","","","Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran","Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study","Chemical Communications (Cambridge, United Kingdom)","2015","51","28","6137","6140","10.1039/c4cc09523e","","","0.71075","MoKα","","0.0511","0.0446","","","0.0777","0.0807","","","","","","1.077","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7116960","9.5863","0.0004","13.8917","0.0007","20.1426","0.0008","83.305","0.004","76.31","0.004","81.1","0.004","2565.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","triazolophane","","","- C26 H28 N8 O2 -","- C26 H28 N8 O2 -","- C104 H112 N32 O8 -","4","2","","Haridas, V.; Sapala, Appa Rao; Jasinski, Jerry P.","Self-assembling triazolophanes: from croissants through donuts to spherical vesicles","Chemical Communications (Cambridge, United Kingdom)","2015","51","32","6905","6908","10.1039/c4cc09587a","","","1.54184","CuKα","","0.0913","0.0738","","","0.1947","0.2114","","","","","","1.026","","","","has coordinates","211006","2020-10-21","18:00:00",""
"7116979","11.222","0.002","12.458","0.003","13.769","0.003","90","","91.055","0.011","90","","1924.6","0.7","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-benzoylthiazolidin-2-one","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Perez, Christian; Monserrat, Jean-Philippe; Chen, Yao; Cohen, Seth M.","Exploring hydrogen peroxide responsive thiazolidinone-based prodrugs","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7116","7119","10.1039/c4cc09921d","","","0.71073","MoKα","","0.0796","0.0505","","","0.1101","0.1295","","","","","","1.152","","","","has coordinates","210983","2020-10-21","18:00:00",""
"7116980","13.7485","0.0007","5.436","0.0003","25.063","0.0012","90","","90","","90","","1873.13","0.17","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","phenyl(2-thioxooxazolidin-3-yl)methanone","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Perez, Christian; Monserrat, Jean-Philippe; Chen, Yao; Cohen, Seth M.","Exploring hydrogen peroxide responsive thiazolidinone-based prodrugs","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7116","7119","10.1039/c4cc09921d","","","0.71073","MoKα","","0.0498","0.0463","","","0.1121","0.1152","","","","","","1.073","","","","has coordinates","210983","2020-10-21","18:00:00",""
"7117009","45.2352","0.0008","6.6395","0.0003","22.441","0.0006","90","","119.467","0.002","90","","5868","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F5 S2 -","- C38 H21 F5 S2 -","- C304 H168 F40 S16 -","8","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","1.54178","CuKα","","0.0773","0.0449","","","0.0988","0.1141","","","","","","1.042","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117010","11.1959","0.0002","12.3836","0.0003","12.6296","0.0004","101.538","0.001","91.211","0.001","91.197","0.002","1714.71","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 F5 S2 -","- C42 H29 F5 S2 -","- C84 H58 F10 S4 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0843","0.0646","","","0.1426","0.157","","","","","","1.076","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117011","13.6064","0.0002","16.1319","0.0003","11.023","0.0002","90","","91.753","0.001","90","","2418.38","0.07","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B F10 S -","- C25 H21 B F10 S -","- C100 H84 B4 F40 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0545","0.0446","","","0.1004","0.1069","","","","","","1.058","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117012","13.609","0.0003","16.1094","0.0003","10.9768","0.0002","90","","91.466","0.001","90","","2405.69","0.08","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B Cl F10 S -","- C24 H18 B Cl F10 S -","- C96 H72 B4 Cl4 F40 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0747","0.0538","","","0.098","0.108","","","","","","1.091","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117013","10.3691","0.0004","10.8688","0.0005","15.4492","0.0007","85.529","0.002","80.114","0.002","69.229","0.002","1603.51","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H20 B Cl2 F15 S -","- C31 H20 B Cl2 F15 S -","- C62 H40 B2 Cl4 F30 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0472","0.0391","","","0.0913","0.0967","","","","","","1.032","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117014","8.964","0.0001","10.7186","0.0001","15.817","0.0001","78.9","0.001","87.821","0.001","81.241","0.001","1473.84","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 B F15 S -","- C30 H18 B F15 S -","- C60 H36 B2 F30 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","1.54178","CuKα","","0.0445","0.0402","","","0.1049","0.1087","","","","","","1.034","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117015","10.6872","0.0006","20.2903","0.0012","16.7936","0.0009","90","","96.71","0.002","90","","3616.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B F15 P S -","- C33 H27 B F15 P S -","- C132 H108 B4 F60 P4 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0824","0.0442","","","0.0902","0.0982","","","","","","1.001","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117016","24.4977","0.0003","10.2132","0.0001","19.1177","0.0002","90","","112.3","0.001","90","","4425.51","0.09","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F5 S -","- C24 H23 F5 S -","- C192 H184 F40 S8 -","8","2","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.06","0.0497","","","0.1174","0.1261","","","","","","1.054","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117017","23.7477","0.0004","10.2283","0.0001","19.1342","0.0003","90","","111.487","0.001","90","","4324.66","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 F5 S2 -","- C22 H21 F5 S2 -","- C176 H168 F40 S16 -","8","2","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0639","0.049","","","0.1136","0.1259","","","","","","1.042","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117063","9.2153","0.0004","11.1328","0.0006","15.2684","0.0009","70.278","0.003","83.973","0.003","71.336","0.003","1396.98","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N5 O13 P3 Zn3 -","- C18 H16 N5 O13 P3 Zn3 -","- C36 H32 N10 O26 P6 Zn6 -","2","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa","The first zinc phosphite with remarkable structural and functional transformations","Chemical Communications (Cambridge, United Kingdom)","2015","51","37","7824","7826","10.1039/c5cc01886b","","","0.71073","MoKα","","0.0917","0.0612","","","0.1777","0.1987","","","","","","1.001","","","","has coordinates","210991","2020-10-21","18:00:00",""
"7117064","9.149","0.003","11.202","0.004","14.628","0.005","73.526","0.013","88.045","0.014","71.284","0.012","1358.9","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N5 O10 P3 Zn3 -","- C18 H15 N5 O10 P3 Zn3 -","- C36 H30 N10 O20 P6 Zn6 -","2","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa","The first zinc phosphite with remarkable structural and functional transformations","Chemical Communications (Cambridge, United Kingdom)","2015","51","37","7824","7826","10.1039/c5cc01886b","","","0.71073","MoKα","","0.2472","0.132","","","0.3552","0.4261","","","","","","1.019","","","","has coordinates","210991","2020-10-21","18:00:00",""
"7117065","9.578","0.003","11.517","0.004","13.244","0.005","76.705","0.012","88.391","0.013","69.043","0.011","1325.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N5 O9 P3 Zn3 -","- C18 H16 N5 O9 P3 Zn3 -","- C36 H32 N10 O18 P6 Zn6 -","2","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa","The first zinc phosphite with remarkable structural and functional transformations","Chemical Communications (Cambridge, United Kingdom)","2015","51","37","7824","7826","10.1039/c5cc01886b","","","0.71073","MoKα","","0.2144","0.0955","","","0.2475","0.326","","","","","","1.017","","","","has coordinates","210991","2020-10-21","18:00:00",""
"7117091","12.70025","0.0001","21.30927","0.00015","15.21998","0.0001","90","","93.2975","0.0006","90","","4112.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H39 Cu F12 N5 P2 -","- C43 H39 Cu F12 N5 P2 -","- C172 H156 Cu4 F48 N20 P8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0465","0.0449","","","0.1197","0.1234","","","","","","1.033","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117092","18.1611","0.0002","52.0625","0.0009","20.5495","0.0003","90","","106.087","0.001","90","","18669","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H78 Cl2 Cu2 Fe N8 O8 -","- C90 H78 Cl2 Cu2 Fe N8 O8 -","- C720 H624 Cl16 Cu16 Fe8 N64 O64 -","8","2","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.1182","0.1085","","","0.293","0.3008","","","","","","1.071","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117093","5.8216","0.0001","15.604","0.0004","19.8079","0.0004","90","","91.3","0.002","90","","1798.89","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Fe I N2 -","- C22 H15 Fe I N2 -","- C88 H60 Fe4 I4 N8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0533","0.0513","","","0.1417","0.1451","","","","","","1.035","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117094","15.622","0.005","9.169","0.005","17.531","0.005","90","","102.084","0.005","90","","2455.5","1.7","99.98","0.14","99.98","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Fe N4 -","- C34 H22 Fe N4 -","- C136 H88 Fe4 N16 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","0.71069","MoKα","","0.0801","0.0698","","","0.1822","0.1907","","","","","","1.051","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117095","23.8585","0.0013","6.8313","0.0004","10.025","0.0006","90","","90","","90","","1633.92","0.16","100.01","0.13","100.01","0.13","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 Fe N2 -","- C22 H16 Fe N2 -","- C88 H64 Fe4 N8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.045","0.0389","","","0.1055","0.1087","","","","","","1.177","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117096","7.396","0.0002","10.9122","0.0002","11.2342","0.0003","90","","104.382","0.003","90","","878.26","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 F6 Fe N P -","- C18 H16 F6 Fe N P -","- C36 H32 F12 Fe2 N2 P2 -","2","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0386","0.0355","","","0.089","0.091","","","","","","1.054","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117132","9.3195","0.0004","10.8944","0.0005","14.3609","0.0007","90","","90","","90","","1458.07","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O3 -","- C18 H12 Cl N O3 -","- C72 H48 Cl4 N4 O12 -","4","1","","Lin, Youqiang; Yang, Limin; Deng, Yue; Zhong, Guofu","Cooperative catalysis of N-heterocyclic carbene and Brønsted acid for a highly enantioselective route to unprotected spiro-indoline-pyrans","Chemical Communications (Cambridge, United Kingdom)","2015","51","39","8330","8333","10.1039/c5cc02096d","","","0.71073","MoKα","","0.0637","0.0351","","","0.0724","0.0917","","","","","","1.003","","","","has coordinates","211001","2020-10-21","18:00:00",""
"7117209","10.912","0.002","8.3793","0.0017","11.228","0.002","90","","93.81","0.03","90","","1024.4","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O2 -","- C25 H21 Br N2 O2 -","- C50 H42 Br2 N4 O4 -","2","1","","Gao, Zhong-Hua; Chen, Xiang-Yu; Cheng, Jin-Tang; Liao, Wei-Lin; Ye, Song","N-Heterocyclic carbene-catalyzed [2+3] cyclocondensation of α-chloroaldehydes with azomethine imines","Chemical Communications (Cambridge, United Kingdom)","2015","51","45","9328","9331","10.1039/c5cc01238d","","","0.71073","MoKα","","0.0431","0.0388","","","0.0735","0.0754","","","","","","1.12","","","","has coordinates","211000","2020-10-21","18:00:00",""
"7117226","15.3713","0.0011","37.512","0.003","38.979","0.003","90","","105.255","0.002","90","","21684","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H224 In5 N29 O87 -","- C85 H55 In5 N10 O25 -","- C340 H220 In20 N40 O100 -","4","1","","Song, Bai-Qiao; Wang, Xin-Long; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Periodic tiling of triangular and square nanotubes in a cationic metal-organic framework for selective anion exchange","Chemical Communications (Cambridge, United Kingdom)","2015","51","46","9515","9518","10.1039/c5cc02639c","","","0.71073","MoKα","","0.0963","0.0534","","","0.1103","0.1161","","","","","","1.005","","","","has coordinates,has disorder","210999","2020-10-21","18:00:00",""
"7117402","9.39","0.006","15.536","0.011","17.758","0.011","64.69","0.02","79.19","0.02","85.9","0.03","2300","3","150","","149.71","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O -","- C20 H17.6667 O -","- C120 H106 O6 -","6","3","","Pérez, Manuel; Mahdi, Tayseer; Hounjet, Lindsay J.; Stephan, Douglas W.","Electrophilic phosphonium cations catalyze hydroarylation and hydrothiolation of olefins","Chemical Communications (Cambridge, United Kingdom)","2015","51","56","11301","11304","10.1039/c5cc03572d","","","0.71073","MoKα","","0.2263","0.0958","","","0.2355","0.3466","","","","","","0.9108","","","","has coordinates","210998","2020-10-21","18:00:00",""
"7117413","28.0546","0.0017","9.681","0.0005","15.0716","0.0008","90","","109.781","0.006","90","","3851.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Ghosh, Abhijit; Sengupta, Archya; Chattopadhyay, Ansuman; Das, Debasis","Lysine triggered ratiometric conversion of dynamic to static excimer of a pyrene derivative: aggregation-induced emission, nanomolar detection and human breast cancer cell (MCF7) imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","57","11455","11458","10.1039/c5cc02389k","","","0.71073","MoKα","","0.1117","0.0489","","","0.1161","0.1454","","","","","","1.006","","","","has coordinates","210997","2020-10-21","18:00:00",""
"7117463","7.3992","0.0004","9.2492","0.0007","18.3176","0.0011","90","","90","","90","","1253.6","0.14","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O -","- C11 H18 N2 O -","- C44 H72 N8 O4 -","4","1","","Su, Wei; Gong, Tian-Jun; Xiao, Bin; Fu, Yao","Rhodium(III)-catalyzed cyanation of vinylic C‒H bonds: N-cyano-N-phenyl-p-toluenesulfonamide as a cyanation reagent","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11848","11851","10.1039/c4cc09790d","","","1.54184","CuKα","","0.0624","0.0457","","","0.1288","0.1672","","","","","","1.065","","","","has coordinates","209765","2020-10-21","18:00:00",""
"7117464","17.973","0.008","7.352","0.003","6.245","0.003","90","","90.646","0.009","90","","825.1","0.6","113","2","113","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 -","- C26 H18 -","- C52 H36 -","2","0.5","","Liu, Jie; Dong, Huanli; Wang, Zongrui; Ji, Deyang; Cheng, Changli; Geng, Hua; Zhang, Hantang; Zhen, Yonggang; Jiang, Lang; Fu, Hongbing; Bo, Zhishan; Chen, Wei; Shuai, Zhigang; Hu, Wenping","Thin film field-effect transistors of 2,6-diphenyl anthracene (DPA)","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11777","11779","10.1039/c4cc10348c","","","0.71073","MoKα","","0.0788","0.0563","","","0.1314","0.1471","","","","","","1.071","","","","has coordinates","210996","2020-10-21","18:00:00",""
"7117486","21.82156","0.00006","21.82156","0.00006","21.82156","0.00006","90","","90","","90","","10391","0.05","100","0.1","100","0.1","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C76 H92 Cu4 N8 S -","- C76 H92 Cu4 N8 S -","- C456 H552 Cu24 N48 S6 -","6","0.25","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Mankad, Neal P.","A Cu4S model for the nitrous oxide reductase active sites supported only by nitrogen ligands","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11860","11863","10.1039/c5cc04675k","","x-ray","1.54184","CuKα","","0.0253","0.0245","","","0.0674","0.0684","","","","","","1.119","","","","has coordinates,has disorder","210995","2020-10-21","18:00:00",""
"7117552","7.169","0.002","6.8769","0.0019","7.474","0.002","90","","105.675","0.003","90","","354.77","0.17","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H8 B F3 N2 -","- C5 H8 B F3 N2 -","- C10 H16 B2 F6 N4 -","2","0.5","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.0443","0.0345","","","0.0864","0.092","","","","","","1.056","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117553","7.4533","0.0005","9.5695","0.0006","11.8645","0.0008","90","","105.049","0.001","90","","817.21","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 B F3 N3 O2 -","- C5 H7 B F3 N3 O2 -","- C20 H28 B4 F12 N12 O8 -","4","1","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.0399","0.0371","","","0.1057","0.1085","","","","","","1.066","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117554","7.5804","0.0012","7.9279","0.0013","18.431","0.003","90","","90","","90","","1107.6","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 B F3 N3 O2 -","- C9 H9 B F3 N3 O2 -","- C36 H36 B4 F12 N12 O8 -","4","1","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.11","0.1079","","","0.2751","0.2763","","","","","","1.099","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117651","22.614","0.008","8.529","0.003","17.808","0.006","90","","107.877","0.005","90","","3269","2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N5 Pt -","- C32 H49 N5 Pt -","- C128 H196 N20 Pt4 -","4","1","","Ogawa, Tomohiro; Yoshida, Masaki; Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","A dual-emissive ionic liquid based on an anionic platinum(II) complex","Chemical Communications (Cambridge, United Kingdom)","2015","51","69","13377","13380","10.1039/c5cc04407c","","","0.71075","MoKα","","0.0491","0.0365","","","0.09","0.0961","","","","","","1.074","","","","has coordinates","210994","2020-10-21","18:00:00",""
"7117652","19.743","0.005","12.197","0.003","14.509","0.004","90","","108.445","0.003","90","","3314.4","1.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 K2 N6 O3 Pt2 -","- C31 H26 K2 N6 O3 Pt2 -","- C124 H104 K8 N24 O12 Pt8 -","4","1","","Ogawa, Tomohiro; Yoshida, Masaki; Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","A dual-emissive ionic liquid based on an anionic platinum(II) complex","Chemical Communications (Cambridge, United Kingdom)","2015","51","69","13377","13380","10.1039/c5cc04407c","","","0.71075","MoKα","","0.0563","0.0458","","","0.121","0.1278","","","","","","1.068","","","","has coordinates","210994","2020-10-21","18:00:00",""
"7117995","20.082","0.003","9.3614","0.0008","14.777","0.0018","90","","126.854","0.008","90","","2222.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 B F2 I2 -","- C26 H15 B F2 I2 -","- C104 H60 B4 F8 I8 -","4","0.5","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.0735","0.0594","","","0.1488","0.1555","","","","","","1.005","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7117996","12.6333","0.0009","14.6789","0.0007","12.1639","0.0008","90","","94.908","0.006","90","","2247.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 B Br4 -","- C26 H15 B Br4 -","- C104 H60 B4 Br16 -","4","1","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.0611","0.0457","","","0.0918","0.0971","","","","","","1.099","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7117997","3.9791","0.0012","19.948","0.006","20.208","0.005","90","","90","","90","","1604","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 B -","- C26 H15 B -","- C104 H60 B4 -","4","1","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.1732","0.0677","","","0.1014","0.136","","","","","","0.844","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7117998","48.2907","0.0017","48.2907","0.0017","48.2907","0.0017","90","","90","","90","","112614","7","173","2","173","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C31 H20 B N -","- C31 H20 B N -","- C5952 H3840 B192 N192 -","192","2","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.114","0.0654","","","0.1133","0.1311","","","","","","0.941","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7118020","9.2218","0.0002","27.5508","0.0006","24.8963","0.0005","90","","92.701","0.002","90","","6318.3","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H128 Cl4 N12 O12 -","- C116 H122 Cl4 N12 O12 -","- C232 H244 Cl8 N24 O24 -","2","1","","Zhao, Xiaohu; Liu, Xiaohua; Xiong, Qian; Mei, Hongjiang; Ma, Baiwei; Lin, Lili; Feng, Xiaoming","The asymmetric synthesis of polycyclic 3-spirooxindole alkaloids via the cascade reaction of 2-isocyanoethylindoles","Chemical Communications (Cambridge, United Kingdom)","2015","51","89","16076","16079","10.1039/c5cc06353a","","","0.71073","MoKα","","0.068","0.0565","","","0.1615","0.1706","","","","","","1.057","","","","has coordinates,has disorder","210893","2020-10-21","18:00:00",""
"7118048","26.9207","0.0009","26.9207","0.0009","20.9044","0.0014","90","","90","","120","","13120.2","1.1","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C69 H66 Cd4 N12 O29 -","- C69 H66 Cd4 N12 O29 -","- C414 H396 Cd24 N72 O174 -","6","0.333333","","Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian","Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices","Chemical Communications (Cambridge, United Kingdom)","2015","51","91","16331","16333","10.1039/c5cc06501a","","","0.71073","MoKα","","0.0612","0.0455","","","0.1133","0.1229","","","","","","0.955","","","","has coordinates","210891","2020-10-21","18:00:00",""
"7118049","26.8706","0.0005","26.8706","0.0005","20.9","0.0008","90","","90","","120","","13068.7","0.6","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C69 H66 Cd4 N12 O29 -","- C69 H66 Cd4 N12 O29 -","- C414 H396 Cd24 N72 O174 -","6","0.333333","","Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian","Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices","Chemical Communications (Cambridge, United Kingdom)","2015","51","91","16331","16333","10.1039/c5cc06501a","","","0.71073","MoKα","","0.0785","0.0545","","","0.1206","0.1319","","","","","","1.004","","","","has coordinates","210891","2020-10-21","18:00:00",""