# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-16T10:17:04+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') AND volume = 53 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
"1546410","7.1912","0.0008","28.323","0.002","9.0175","0.001","90","","110.259","0.009","90","","1723","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Triaquahypodiphosphatocalcium](1,4,7,10,13,16-hexa?oxa?cyclo?octa?decane-?6)","","- C6 H22 Ca O13 P2 -","- C6 H22 Ca O13 P2 -","- C24 H88 Ca4 O52 P8 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","0.71069","MoKα","","0.04","0.0347","","","0.0868","0.0901","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546411","17.8264","0.0008","15.4605","0.0004","19.2829","0.0009","90","","113.954","0.005","90","","4856.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54.3 H66.67 N8 O2.03 -","- C54.303 H66.674 N8 O2.034 -","- C217.212 H266.696 N32 O8.136 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","x-ray","0.71073","MoKα","","0.1275","0.0741","","","0.1937","0.2234","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546412","10.6829","0.0005","11.9538","0.0005","17.4933","0.0008","88.385","0.003","77.936","0.003","70.385","0.003","2055.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-Me-CyMe4-BTPhen Eu(NO3)3 Complex","","- C38 H45 Eu N12 O9 -","- C38 H45 Eu N12 O9 -","- C76 H90 Eu2 N24 O18 -","2","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","1.54178","CuKα","","0.0353","0.032","","","0.0813","0.0834","","","","","","0.984","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546413","16.9253","0.0009","8.6647","0.0005","23.1992","0.0012","90","","98.832","0.004","90","","3361.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7-Me-CyMe4-BTPhen","","- C37 H48 N8 O2 -","- C37 H48 N8 O2 -","- C148 H192 N32 O8 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","1.54178","CuKα","","0.0702","0.0486","","","0.1312","0.1465","","","","","","1.005","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546435","17.0796","0.0014","13.6704","0.0008","18.9052","0.0013","90","","116.272","0.009","90","","3958.1","0.6","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(trans)-Ethyl 1-benzoyl-2-phenylindoline-3-carboxylate","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","2","","Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu","A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation","Chemical Communications","2017","53","59","8320","8323","10.1039/C7CC04358A","","x-ray","0.71073","MoKα","","0.0746","0.0592","","","0.161","0.1741","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546815","11.5766","0.0003","17.2082","0.0003","17.1087","0.0005","90","","107.784","0.003","90","","3245.4","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl Ir N2 Si -","- C34 H48 Cl Ir N2 Si -","- C136 H192 Cl4 Ir4 N8 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0503","0.0441","","","0.1214","0.1283","","","","","","1.07","","","","has coordinates","259813","2020-12-11","13:54:15",""
"1546816","10.0773","0.0004","13.0942","0.0004","22.7288","0.0008","83.648","0.003","87.998","0.003","76.732","0.003","2901.04","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H74 Cl7 Ir N4 Si2 -","- C51 H74 Cl7 Ir N4 Si2 -","- C102 H148 Cl14 Ir2 N8 Si4 -","2","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0488","0.0425","","","0.1089","0.1142","","","","","","1.033","","","","has coordinates,has disorder","259813","2020-12-11","13:54:17",""
"1546817","20.2028","0.0013","9.0196","0.0003","20.2302","0.0012","90","","114.903","0.007","90","","3343.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H50 Cl Ir N2 Si -","- C35.5 H50 Cl Ir N2 Si -","- C142 H200 Cl4 Ir4 N8 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0547","0.0426","","","0.1087","0.1185","","","","","","1.04","","","","has coordinates,has disorder","259813","2020-12-11","13:54:17",""
"1546818","8.447","0.003","11.738","0.005","19.66","0.006","90","","107.207","0.012","90","","1862.1","1.2","298","2","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H22 F3 Fe I4 N5 O2 -","- C37 H22 F3 Fe I4 N5 O2 -","- C74 H44 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","","0.71073","MoKα","","0.1241","0.0471","","","0.0602","0.0735","","","","","","0.972","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546819","8.3692","0.0002","11.5822","0.0002","19.5061","0.0005","90","","106.785","0.002","90","","1810.24","0.07","250","","250","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C76 H44 F6 Fe2 I8 N8 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.04","0.0287","","","0.0411","0.0438","","","","","","0.977","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546820","16.7237","0.0002","22.9833","0.0002","19.4485","0.0002","90","","107.484","0.001","90","","7129.98","0.13","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C304 H176 F24 Fe8 I32 N32 O16 -","8","2","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.0502","0.033","","","0.0407","0.0452","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546836","26.1715","0.0002","26.1715","0.0002","15.3862","0.0001","90","","90","","120","","9126.81","0.12","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C0 H18 B69 Mg7 N0 O126 -","- B69 H18 Mg7 O126 -","- B138 H36 Mg14 O252 -","2","0.166667","","Wang, Jia-Jia; Yang, Guo-Yu","A novel supramolecular magnesoborate framework with snowflake-like channels built by unprecedented huge B <sub>69</sub> cluster cages","Chemical Communications","2017","53","75","10398","10401","10.1039/C7CC05404A","","","1.54178","CuKα","","0.0524","0.0488","","","0.1412","0.1438","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546837","9.785","0.003","7.3055","0.0019","9.929","0.003","90","","118.84","0.002","90","","621.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","S-Sumanene","S-Sumanene","","- C18 H6 S3 -","- C18 H6 S3 -","- C36 H12 S6 -","2","1","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.0361","0.0317","","","0.07","0.0732","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546838","12.04","0.0014","20.685","0.002","18.893","0.002","90","","93.345","0.002","90","","4697.2","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Si-Sum","Si-Sumanene","","- C24 H24 Si3 -","- C24 H24 Si3 -","- C192 H192 Si24 -","8","2","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.1372","0.0557","","","0.1687","0.2445","","","","","","0.806","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546839","19.3615","0.0001","19.3615","0.0001","14.1645","0.0002","90","","90","","90","","5309.81","0.08","120","0.1","120","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0486","0.0416","","","0.1089","0.1126","","","","","","1.039","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546840","19.3938","0.0001","19.3938","0.0001","14.1496","0.0001","90","","90","","90","","5321.94","0.05","119.99","0.1","119.99","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0298","0.0286","","","0.0738","0.0745","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546841","19.3596","0.0014","19.3596","0.0014","14.1336","0.0015","90","","90","","90","","5297.2","0.8","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0357","0.0332","","","0.0881","0.0894","","","","","","1.069","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546907","14.41","0.002","17.145","0.003","17.2175","0.0005","90","","114.14","0.01","90","","3881.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 Al Cl N2 -","- C42 H67 Al Cl N2 -","- C168 H268 Al4 Cl4 N8 -","4","1","","Kundu, Subrata; Sinhababu, Soumen; Dutta, Sayan; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Schwederski, Brigitte; Kaim, Wolfgang; Stückl, A. Claudia; Roesky, Herbert W.","Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals","Chemical Communications","2017","53","76","10516","10519","10.1039/C7CC06358J","","","0.6358","synchrotron","","0.0423","0.0413","","","0.1121","0.1133","","","","","","1.055","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547870","18.8502","0.0005","9.25277","0.00017","20.4322","0.0005","90","","106.169","0.003","90","","3422.75","0.15","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H104 O12 -","- C80 H104 O12 -","- C160 H208 O24 -","2","0.5","","Yang, Liu-Pan; Jia, Fei; Pan, Fangfang; Pan, Zhi-Sheng; Rissanen, Kari; Jiang, Wei","Effects of side chains of oxatub[4]arene on its conformational interconversion, molecular recognition and macroscopic self-assembly","Chemical Communications","2017","53","93","12572","12575","10.1039/C7CC07630D","","x-ray","0.71073","MoKα","","0.0756","0.047","","","0.0998","0.1123","","","","","","1.025","","","","has coordinates","282777","2023-04-20","11:56:51",""
"7119192","22.9684","0.0011","6.4549","0.0003","12.7545","0.0006","90","","105.422","0.0012","90","","1822.88","0.15","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 Br N4 O2 -","- C19 H17 Br N4 O2 -","- C76 H68 Br4 N16 O8 -","4","1","","Nishimine, Takayuki; Taira, Hiromi; Mori, Satoru; Matsubara, Okiya; Tokunaga, Etsuko; Akiyama, Hidehiko; Soloshonok, Vadim A.; Shibata, Norio","Synthesis of chiral (tetrazolyl)methyl-containing acrylates via silicon-induced organocatalytic kinetic resolution of Morita-Baylis-Hillman fluorides.","Chemical communications (Cambridge, England)","2017","53","6","1128","1131","10.1039/c6cc08830a","","","0.71075","MoKα","","","0.0315","","","","0.0813","","","","","","1.09","","","","has coordinates","191469","2020-10-21","18:00:00",""
"7119193","11.3237","0.0019","25.174","0.004","19.208","0.003","90","","104.37","0.009","90","","5304.2","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H84 B Cl Fe N6 O -","- C55 H84 B Cl Fe N6 O -","- C220 H336 B4 Cl4 Fe4 N24 O4 -","4","1","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.0882","0.0513","","","0.1215","0.132","","","","","","1.044","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119194","12.2416","0.0005","12.4664","0.0005","13.9258","0.0006","106.384","0.001","90.0628","0.0011","91.3197","0.001","2038.29","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 B Fe N8 P -","- C48 H48 B Fe N8 P -","- C96 H96 B2 Fe2 N16 P2 -","2","1","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.41328","synchrotron","","0.1122","0.0622","","0.1774","0.1361","0.1771","","","","","","1.1659","","","","has coordinates","189724","2020-10-21","18:00:00",""
"7119195","16.1882","0.0006","21.3706","0.0008","29.4853","0.001","90","","100.31","0.0018","90","","10035.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.25 H65 B Fe N8 P -","- C54.25 H65 B Fe N8 P -","- C434 H520 B8 Fe8 N64 P8 -","8","2","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.062","0.0419","","","0.103","0.1142","","","","","","1.012","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119196","10.59","0.0004","26.1279","0.0009","40.2762","0.0014","90","","91.277","0.002","90","","11141.4","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58.25 H82.5 B Fe N6 P -","- C58.25 H82.5 B Fe N6 P -","- C466 H660 B8 Fe8 N48 P8 -","8","2","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.1793","0.0915","","0.2441","0.2092","0.2439","","","","","","0.9403","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119197","37.4525","0.0014","16.3865","0.0006","11.13","0.0004","90","","90.917","0.002","90","","6829.8","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.68 H48.19 B Fe N6 O0.42 P -","- C34.676 H48.19 B Fe N6 O0.419 P -","- C277.408 H385.52 B8 Fe8 N48 O3.352 P8 -","8","1","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.0701","0.0576","","","0.1469","0.1558","","","","","","1.058","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119198","23.1625","0.0003","23.7759","0.0004","24.2858","0.0003","108.55","0.001","101.782","0.001","90.416","0.001","12374.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C399 H407 Cd8 N101 O87 -","- C399 H403 Cd8 N97 O75 -","- C399 H403 Cd8 N97 O75 -","1","0.5","","Piper, Jerico R.; Cletheroe, Lewis; Taylor, Christopher G. P.; Metherell, Alexander J.; Weinstein, Julia A.; Sazanovich, Igor V.; Ward, Michael D.","Photoinduced energy- and electron-transfer from a photoactive coordination cage to bound guests.","Chemical communications (Cambridge, England)","2016","53","2","408","411","10.1039/c6cc09298e","","","0.71075","MoKα","","0.1278","0.0925","","","0.3005","0.3325","","","","","","1.273","","","","has coordinates,has disorder","189725","2020-10-21","18:00:00",""
"7119199","10.179","0.013","13.62","0.02","14.88","0.03","114.57","0.03","100.377","0.016","101.214","0.015","1760","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl8 N W -","- C27 H22 Cl8 N W -","- C54 H44 Cl16 N2 W2 -","2","1","","Bortoluzzi, Marco; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","One pot conversion of benzophenone imine into the relevant 2-aza-allenium.","Chemical communications (Cambridge, England)","2016","53","2","364","367","10.1039/c6cc08702g","","","0.71073","MoKα","","0.3078","0.1915","","","0.4162","0.4749","","","","","","1.335","","","","has coordinates","189726","2020-10-21","18:00:00",""
"7119200","7.4444","0.0008","8.2789","0.0009","13.8475","0.0015","90","","93.494","0.004","90","","851.86","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-acetyoxyindole","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","Patel, Pitambar; Borah, Gongutri","Synthesis of oxindole from acetanilide via Ir(iii)-catalyzed C-H carbenoid functionalization.","Chemical communications (Cambridge, England)","2016","53","2","443","446","10.1039/c6cc08788d","","","0.71073","MoKα","","0.0515","0.0453","","","0.1298","0.1399","","","","","","1.143","","","","has coordinates","189728","2020-10-21","18:00:00",""
"7119201","9.2411","0.0003","11.5601","0.0004","15.5168","0.0006","92.0833","0.0013","103.405","0.0011","113.416","0.0011","1464.26","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Fe2 O5 P S4 -","- C25 H26 Fe2 O5 P S4 -","- C50 H52 Fe4 O10 P2 S8 -","2","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.0362","0.0278","","","0.0654","0.0689","","","","","","1.047","","","","has coordinates,has disorder","189729","2020-10-21","18:00:00",""
"7119202","11.7609","0.0003","13.8406","0.0003","15.6381","0.0004","90","","104.091","0.0012","90","","2468.95","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Fe2 O4 P S4 -","- C21 H19 Fe2 O4 P S4 -","- C84 H76 Fe8 O16 P4 S16 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.036","0.0259","","","0.0572","0.0603","","","","","","1.027","","","","has coordinates,has disorder","189729","2020-10-21","18:00:00",""
"7119203","11.3924","0.0007","9.7151","0.0006","13.2754","0.0007","90","","92.909","0.003","90","","1467.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B P S2 -","- C14 H16 B P S2 -","- C56 H64 B4 P4 S8 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.081","0.0461","","","0.1066","0.1217","","","","","","1.036","","","","has coordinates","189729","2020-10-21","18:00:00",""
"7119204","9.4733","0.0003","25.2126","0.0008","10.1241","0.0003","90","","93.192","0.001","90","","2414.35","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe2 O5 P S4 -","- C21 H17 Fe2 O5 P S4 -","- C84 H68 Fe8 O20 P4 S16 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.0353","0.026","","","0.0539","0.0565","","","","","","1.032","","","","has coordinates","189729","2020-10-21","18:00:00",""
"7119205","9.6554","0.0004","16.4735","0.0008","14.8482","0.0008","90","","103.663","0.0014","90","","2294.9","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Fe2 O4 P S4 -","- C20 H17 Fe2 O4 P S4 -","- C80 H68 Fe8 O16 P4 S16 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.0341","0.0244","","","0.0516","0.0551","","","","","","1.026","","","","has coordinates","189729","2020-10-21","18:00:00",""
"7119206","12.474","0.006","11.835","0.005","26.509","0.012","90","","90","","90","","3914","3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N3 O3 S -","- C20 H27 N3 O3 S -","- C160 H216 N24 O24 S8 -","8","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.095","0.0517","","","0.1146","0.1379","","","","","","1.018","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119207","11.1911","0.0009","11.3303","0.0009","25.143","0.002","90","","90","","90","","3188.1","0.4","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N3 O3 S -","- C14 H19 N3 O3 S -","- C112 H152 N24 O24 S8 -","8","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0958","0.0439","","","0.1008","0.1226","","","","","","1.026","","","","has coordinates,has disorder","191481","2020-10-21","18:00:00",""
"7119208","11.537","0.007","14.933","0.009","9.438","0.006","90","","112.304","0.007","90","","1504.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O3 S -","- C14 H19 N3 O3 S -","- C56 H76 N12 O12 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0841","0.055","","","0.1629","0.1832","","","","","","1.031","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119209","26.324","0.002","14.6841","0.0011","5.8835","0.0004","90","","90","","90","","2274.2","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 N3 O4 S2 -","- C24 H25 N3 O4 S2 -","- C96 H100 N12 O16 S8 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0568","0.0403","","","0.0788","0.0848","","","","","","1.053","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119210","10.0595","0.001","20.175","0.002","11.1108","0.0011","90","","107.837","0.004","90","","2146.6","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O3 S -","- C22 H29 N3 O3 S -","- C88 H116 N12 O12 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0454","0.0373","","","0.0993","0.1087","","","","","","1.117","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119211","12.037","0.0003","35.2714","0.001","12.5698","0.0003","90","","96.978","0.001","90","","5297.1","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H37 N3 O3 S -","- C28 H37 N3 O3 S -","- C224 H296 N24 O24 S8 -","8","4","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","1.54178","CuKα","","0.1019","0.0637","","","0.1357","0.1531","","","","","","1.01","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119212","6.7492","0.0007","7.2139","0.0007","31.441","0.003","90","","90","","90","","1530.8","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O5 S -","- C15 H20 N2 O5 S -","- C60 H80 N8 O20 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0529","0.0405","","","0.0981","0.103","","","","","","1.096","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119213","11.8316","0.0016","14.0713","0.0019","7.0351","0.001","90","","96.718","0.002","90","","1163.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl N2 O4 S -","- C10 H9 Cl N2 O4 S -","- C40 H36 Cl4 N8 O16 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0425","0.0341","","","0.0838","0.0893","","","","","","1.065","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119214","6.4988","0.0006","15.6631","0.0014","12.8234","0.0014","90","","100.67","0.004","90","","1282.7","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 S -","- C14 H10 N2 O4 S -","- C56 H40 N8 O16 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.047","0.0338","","","0.079","0.0843","","","","","","1.046","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119215","16.9445","0.0002","37.8065","0.0003","17.8856","0.0002","90","","116.408","0.002","90","","10262.1","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H58 N4 Na2 Si4 -","- C22 H58 N4 Na2 Si4 -","- C264 H696 N48 Na24 Si48 -","12","6","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T","Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.","Chemical communications (Cambridge, England)","2016","53","2","324","327","10.1039/c6cc07190b","","","1.54184","CuKα","","0.0441","0.041","","","0.103","0.1059","","","","","","1.014","","","","has coordinates","189731","2020-10-21","18:00:00",""
"7119216","11.6278","0.0004","11.867","0.0005","32.841","0.002","90","","90","","90","","4531.6","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H80 N6 Na2 Si4 -","- C32 H80 N6 Na2 Si4 -","- C128 H320 N24 Na8 Si16 -","4","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T","Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.","Chemical communications (Cambridge, England)","2016","53","2","324","327","10.1039/c6cc07190b","","","0.71073","MoKα","","0.0605","0.0431","","","0.0859","0.0927","","","","","","1.026","","","","has coordinates,has disorder","189731","2020-10-21","18:00:00",""
"7119217","10.1345","0.0005","23.574","0.0011","12.0357","0.0006","90","","105.189","0.002","90","","2775","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 As Br2 -","- C31 H35 As Br2 -","- C124 H140 As4 Br8 -","4","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.0772","0.0423","","","0.0793","0.0875","","","","","","1.025","","","","has coordinates","191471","2020-10-21","18:00:00",""
"7119218","10.149","0.0008","23.497","0.002","11.9741","0.0011","90","","105.805","0.006","90","","2747.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Br2 P -","- C31 H35 Br2 P -","- C124 H140 Br8 P4 -","4","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.0911","0.0529","","","0.1061","0.1186","","","","","","1.039","","","","has coordinates","191471","2020-10-21","18:00:00",""
"7119219","40.116","0.004","12.0063","0.0011","14.4519","0.0016","90","","103.394","0.007","90","","6771.4","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 P S2 -","- C39 H41 P S2 -","- C312 H328 P8 S16 -","8","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.1571","0.0986","","","0.279","0.3216","","","","","","1.031","","","","has coordinates,has disorder","191471","2020-10-21","18:00:00",""
"7119220","9.2061","0.0003","30.1345","0.001","15.3956","0.0005","90","","105.096","0.002","90","","4123.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 Au Cl P S2 -","- C39 H41 Au Cl P S2 -","- C156 H164 Au4 Cl4 P4 S8 -","4","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.0619","0.0478","","","0.0964","0.1003","","","","","","1.155","","","","has coordinates,has disorder","191471","2020-10-21","18:00:00",""
"7119221","11.4284","0.0012","12.1152","0.0013","13.5551","0.0014","87.976","0.004","67.853","0.004","72.668","0.004","1653.1","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Cyanodimesityl(4-(methyldiphenylphosphonio)phenyl)borate","","- C40 H42 B N2 P -","- C40 H42 B N2 P -","- C80 H84 B2 N4 P2 -","2","1","","Perrio, Cécile; Schmitt, Sébastien; Pla, Daniel; Gabbaï, François P; Chansaenpak, Kantapat; Mestre-Voegtle, Béatrice; Gras, Emmanuel","[(18)F]-Fluoride capture and release: azeotropic drying free nucleophilic aromatic radiofluorination assisted by a phosphonium borane.","Chemical communications (Cambridge, England)","2016","53","2","340","343","10.1039/c6cc05168e","","x-ray","0.71073","MoKα","","0.0776","0.0516","","","0.1129","0.1262","","","","","","1.034","","","","has coordinates","189733","2020-10-21","18:00:00",""
"7119222","9.9709","0.0001","20.7798","0.0003","14.2744","0.0002","90","","98.872","0.001","90","","2922.17","0.07","152","2","152","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl Ge N2 O P2 Rh -","- C25 H44 Cl Ge N2 O P2 Rh -","- C100 H176 Cl4 Ge4 N8 O4 P8 Rh4 -","4","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.54184","CuKα","","0.031","0.0266","","","0.0639","0.0666","","","","","","1.02","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119223","14.5188","0.0002","17.9914","0.0002","13.3164","0.0002","90","","92.922","0.001","90","","3473.9","0.08","151","2","151","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl Ge N2 P2 Rh -","- C32 H56 Cl Ge N2 P2 Rh -","- C128 H224 Cl4 Ge4 N8 P8 Rh4 -","4","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.5418","CuKα","","0.035","0.0306","","","0.076","0.0791","","","","","","1.04","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119224","17.2945","0.0014","17.5482","0.0008","22.8262","0.0009","90","","90","","90","","6927.5","0.7","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Co2 Ge N2 O6 P2 -","- C30 H44 Co2 Ge N2 O6 P2 -","- C240 H352 Co16 Ge8 N16 O48 P16 -","8","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.5418","CuKα","","0.1414","0.0934","","","0.2533","0.3534","","","","","","1.058","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119225","11.7387","0.0006","17.267","0.001","18.6974","0.001","74.296","0.005","80.993","0.004","80.308","0.004","3571.6","0.3","149","2","149","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H108 Cl4 Ge2 N4 P4 Pd2 -","- C65.5 H108 Cl4 Ge2 N4 P4 Pd2 -","- C131 H216 Cl8 Ge4 N8 P8 Pd4 -","2","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.54184","CuKα","","0.0318","0.0265","","","0.0633","0.0665","","","","","","1.015","","","","has coordinates,has disorder","191482","2020-10-21","18:00:00",""
"7119226","10.445","0.002","14.347","0.003","14.407","0.003","82.53","0.03","85.3","0.03","74.55","0.03","2060.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl N2 O0 Ru -","- C22 H23 Cl N2 Ru -","- C88 H92 Cl4 N8 Ru4 -","4","2","","Li, Gang; Ma, Xingxing; Jia, Chunqi; Han, Qingqing; Wang, Ya; Wang, Junjie; Yu, Liuyang; Yang, Suling","Ruthenium-catalyzed meta/ortho-selective C-H alkylation of azoarenes using alkyl bromides.","Chemical communications (Cambridge, England)","2017","53","7","1261","1264","10.1039/c6cc09323j","","","0.71073","MoKα","","0.0817","0.0695","","","0.1802","0.1846","","","","","","1.105","","","","has coordinates","191456","2020-10-21","18:00:00",""
"7119227","9.1134","0.0003","9.5041","0.0004","18.0048","0.0007","85.032","0.003","80.364","0.003","67.851","0.004","1423.55","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tin 1-methoxy-2-(2-methoxyethoxy)ethane ethanolbis(trifluoromethylsulfonyl)imide","","- C12 H20 F12 N2 O12 S4 Sn -","- C12 H20 F12 N2 O12 S4 Sn -","- C24 H40 F24 N4 O24 S8 Sn2 -","2","1","","Steichen, Marc; Malaquias, João C; Arasimowicz, Monika; Djemour, Rabie; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen; Dale, Phillip J.","High-speed electrodeposition of copper-tin-zinc stacks from liquid metal salts for Cu2ZnSnSe4 solar cells.","Chemical communications (Cambridge, England)","2017","53","5","913","916","10.1039/c6cc09225j","","","0.71073","MoKα","","0.0555","0.0518","","","0.1111","0.1129","","","","","","1.262","","","","has coordinates,has disorder","191483","2020-10-21","18:00:00",""
"7119228","38.596","0.008","15.279","0.003","23.6","0.005","90","","101.29","0.03","90","","13648","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H38 N6 O20 Zn2 -","- C53 H24 N6 O20 Zn2 -","- C424 H192 N48 O160 Zn16 -","8","1","","Xiang, Jing; Liu, Jia-Jia; Chen, Xiao-Xiang; Jia, Li-Hui; Yu, Fei; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in a mononuclear 8-coordinate Fe(ii) complex.","Chemical communications (Cambridge, England)","2017","53","9","1474","1477","10.1039/c6cc09801k","","","0.71073","MoKα","","0.1832","0.0783","","","0.1782","0.2101","","","","","","0.973","","","","has coordinates","191495","2020-10-21","18:00:00",""
"7119229","10.9689","0.0007","11.2631","0.0008","15.5168","0.001","90","","104.218","0.001","90","","1858.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6a,8,8-tetramethyl-10-phenyl-7,8-dihydrophenanthridine-6,9(5H,6aH)-dione","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Liu, Bang; Wang, Cheng-Yong; Hu, Ming; Song, Ren-Jie; Chen, Fan; Li, Jin-Heng","Copper-promoted [2+2+2] annulation of 1,n-enynes through decomposition of azobis(alkyl nitrile)s.","Chemical communications (Cambridge, England)","2017","53","7","1265","1268","10.1039/c6cc09063j","","","0.71073","MoKα","","0.0664","0.0466","","","0.125","0.1379","","","","","","1.048","","","","has coordinates","191458","2020-10-21","18:00:00",""
"7119230","24.202","0.005","4.5207","0.001","24.218","0.005","90","","112.835","0.003","90","","2442","0.9","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","2","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0677","0.0585","","","0.1376","0.143","","","","","","1.086","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119231","10.9082","0.0007","10.975","0.0007","12.5933","0.0008","79.491","0.001","80.099","0.001","89.499","0.001","1459.87","0.16","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","2","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0636","0.0497","","","0.1358","0.1471","","","","","","1.044","","","","has coordinates,has disorder","189739","2020-10-21","18:00:00",""
"7119232","7.108","0.0014","13.001","0.003","15.084","0.003","112.002","0.003","102.265","0.003","90.523","0.003","1256.8","0.5","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C27 H34 N4 O4 -","- C27 H34 N4 O4 -","- C54 H68 N8 O8 -","2","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0788","0.0623","","","0.1825","0.1939","","","","","","1.092","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119233","14.5173","0.0005","12.8034","0.0004","14.6624","0.0005","90","","105.948","0.001","90","","2620.42","0.15","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O12 -","- C27 H32 N2 O12 -","- C108 H128 N8 O48 -","4","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0564","0.0466","","","0.128","0.136","","","","","","1.032","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119234","10.0905","0.0006","10.9163","0.0006","18.1284","0.001","96.711","0.001","93.445","0.001","101.685","0.001","1934.86","0.19","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C38 H56 N4 O10 -","- C37.9999 H55.9997 N4 O9.99994 -","- C75.9997 H111.999 N8 O19.9999 -","2","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.1308","0.1036","","","0.3158","0.3546","","","","","","1.464","","","","has coordinates,has disorder","189739","2020-10-21","18:00:00",""
"7119235","3.8385","0.0006","10.348","0.0017","12.844","0.002","93.967","0.003","90.145","0.003","95.188","0.003","506.85","0.14","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0624","0.0551","","","0.1581","0.1662","","","","","","1.066","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119236","19.79","0.04","14.87","0.03","25.04","0.04","90","","100.33","0.03","90","","7249","2","446","2","446","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Br N3 O6 Re -","- C41 H32 Br N3 O6 Re -","- C328 H256 Br8 N24 O48 Re8 -","8","1","","Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils","Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.","Chemical communications (Cambridge, England)","2017","53","5","905","908","10.1039/c6cc07553c","","","0.71073","MoKα","","0.0476","0.0403","","","0.0898","0.0939","","","","","","1.125","","","","has coordinates","191484","2020-10-21","18:00:00",""
"7119237","13.791","0.002","13.5301","0.0015","20.451","0.004","90","","108.728","0.006","90","","3614","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Br N3 O7 Re -","- C38 H33 Br N3 O7 Re -","- C152 H132 Br4 N12 O28 Re4 -","4","1","","Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils","Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.","Chemical communications (Cambridge, England)","2017","53","5","905","908","10.1039/c6cc07553c","","","0.71075","MoKα","","0.0653","0.0533","","","0.1322","0.1423","","","","","","1.13","","","","has coordinates","191484","2020-10-21","18:00:00",""
"7119238","14.2253","0.0004","13.4844","0.0003","19.7773","0.0004","90","","109.927","0.003","90","","3566.54","0.16","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Br N3 O7 Re -","- C34 H31 Br N3 O7 Re -","- C136 H124 Br4 N12 O28 Re4 -","4","1","","Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils","Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.","Chemical communications (Cambridge, England)","2017","53","5","905","908","10.1039/c6cc07553c","","","0.71073","MoKα","","0.0403","0.0322","","","0.0788","0.0834","","","","","","1.081","","","","has coordinates","191484","2020-10-21","18:00:00",""
"7119239","22.1833","0.0006","10.5501","0.0003","23.194","0.0004","90","","114.455","0.0014","90","","4941.2","0.2","200","","200","","","","","","","","Research School of Chemistry","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 B2 Cl5 N12 O4 P W2 -","- C38 H48 B2 Cl5 N12 O4 P W2 -","- C152 H192 B8 Cl20 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.115","0.0964","","0.2416","0.2367","0.2416","","","","","","1.0583","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119240","10.5139","0.0004","21.4625","0.0009","24.213","0.0009","66.375","0.004","88.74","0.003","84.806","0.003","4984.7","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 B2 N12 O4 P W2 -","- C42 H49 B2 N12 O4 P W2 -","- C168 H196 B8 N48 O16 P4 W8 -","4","2","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","x-ray","0.71073","MoKα","","0.0896","0.0609","","","0.1166","0.1275","","","","","","1.102","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119241","24.2055","0.0003","10.4092","0.0001","25.5107","0.0003","90","","105.984","0.0006","90","","6179.17","0.12","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 B2 N12 O4 P W2 -","- C48 H61 B2 N12 O4 P W2 -","- C192 H244 B8 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.0584","0.0375","","0.0999","0.0827","0.0999","","","","","","0.9504","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119242","24.8643","0.0005","10.74","0.0002","19.29","0.0004","90","","90","","90","","5151.25","0.18","200","","200","","","","","","","","Research School of Chemistry","7","P c a 21","P 2c -2ac","29","","","","- C48 H55 B2 N12 O4 P W2 -","- C48 H55 B2 N12 O4 P W2 -","- C192 H220 B8 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.0678","0.0427","","0.0894","0.0735","0.0894","","","","","","0.956","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119243","11.1313","0.0003","12.0117","0.0003","14.7648","0.0004","66.579","0.003","78.59","0.003","80.819","0.002","1768.49","0.09","123.3","0.6","123.3","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 N4 Tl2 -","- C36 H52 N4 Tl2 -","- C72 H104 N8 Tl4 -","2","1","","Desat, Marcella E.; Gärtner, Stefanie; Kretschmer, Robert","Dinuclear indium and thallium diyls: biscarbenoids or metal cluster?","Chemical communications (Cambridge, England)","2017","53","9","1510","1513","10.1039/c6cc09488k","","x-ray","1.54184","CuKα","","0.0314","0.0267","","","0.0645","0.0672","","","","","","1.042","","","","has coordinates,has disorder","191497","2020-10-21","18:00:00",""
"7119244","11.49565","0.00018","12.7946","0.0002","14.8078","0.0002","106.411","0.0014","108.225","0.0014","99.2006","0.0015","1909.35","0.06","123","0.2","123","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 In2 N4 O0.08 -","- C36 H52 In2 N4 O0.078 -","- C72 H104 In4 N8 O0.156 -","2","1","","Desat, Marcella E.; Gärtner, Stefanie; Kretschmer, Robert","Dinuclear indium and thallium diyls: biscarbenoids or metal cluster?","Chemical communications (Cambridge, England)","2017","53","9","1510","1513","10.1039/c6cc09488k","","x-ray","1.54184","CuKα","","0.0333","0.0291","","","0.0723","0.075","","","","","","1.059","","","","has coordinates,has disorder","191497","2020-10-21","18:00:00",""
"7119245","23.7685","0.0014","3.5428","0.0002","28.7556","0.0019","90","","112.831","0.002","90","","2231.7","0.2","10","2","10","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Gallic acid monohydrate","","- C7 H8 O6 -","- C7 H8 O6 -","- C84 H96 O72 -","12","3","","Hoser, A. A.; Sovago, I.; Lanza, A.; Madsen, A Ø","A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.","Chemical communications (Cambridge, England)","2017","53","5","925","928","10.1039/c6cc06799a","","x-ray","0.71073","MoKα","","0.0824","0.0514","","","0.1402","0.1592","","","","","","1.019","","","","has coordinates","191485","2020-10-21","18:00:00",""
"7119246","9.7824","0.0005","3.5428","0.0002","21.4669","0.001","90","","91.149","0.005","90","","743.83","0.07","10","2","10","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Hoser, A. A.; Sovago, I.; Lanza, A.; Madsen, A Ø","A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.","Chemical communications (Cambridge, England)","2017","53","5","925","928","10.1039/c6cc06799a","","x-ray","0.71073","MoKα","","0.0593","0.0518","","","0.1341","0.1399","","","","","","1.091","","","","has coordinates","191485","2020-10-21","18:00:00",""
"7119247","9.7573","0.0004","3.5579","0.0001","21.517","0.0009","90","","91.338","0.001","90","","746.77","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Hoser, A. A.; Sovago, I.; Lanza, A.; Madsen, A Ø","A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.","Chemical communications (Cambridge, England)","2017","53","5","925","928","10.1039/c6cc06799a","","x-ray","0.71073","MoKα","","0.048","0.035","","","","0.039","","","","","","1.994","","","","has coordinates","191485","2020-10-21","18:00:00",""
"7119248","12.1928","0.0012","8.0344","0.0006","14.1806","0.0013","90","","103.454","0.009","90","","1351","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N O2 -","- C16 H13 F2 N O2 -","- C64 H52 F8 N4 O8 -","4","1","","Ke, Miaolin; Song, Qiuling","Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.","Chemical communications (Cambridge, England)","2017","53","14","2222","2225","10.1039/c6cc09643c","","","0.71073","MoKα","","0.0833","0.046","","","0.0888","0.1029","","","","","","1.006","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7119249","8.4538","0.0008","9.4567","0.0007","10.8021","0.0008","89.874","0.006","74.59","0.008","81.932","0.007","823.73","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 F0.25 N O -","- C9 H7 F2 N O -","- C36 H28 F8 N4 O4 -","4","2","","Ke, Miaolin; Song, Qiuling","Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.","Chemical communications (Cambridge, England)","2017","53","14","2222","2225","10.1039/c6cc09643c","","x-ray","0.71073","MoKα","","0.0889","0.0517","","","0.1168","0.1388","","","","","","1.033","","","","has coordinates","193694","2020-10-21","18:00:00",""
"7119250","10.9946","0.001","7.5522","0.0007","11.4653","0.001","90","","97.431","0.009","90","","944.01","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F0.25 N O -","- C12 H7 F2 N O -","- C48 H28 F8 N4 O4 -","4","1","","Ke, Miaolin; Song, Qiuling","Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.","Chemical communications (Cambridge, England)","2017","53","14","2222","2225","10.1039/c6cc09643c","","x-ray","0.71073","MoKα","","0.0668","0.0456","","","0.132","0.1516","","","","","","0.994","","","","has coordinates","193694","2020-10-21","18:00:00",""
"7119251","7.508","0.005","11.017","0.007","14.78","0.01","90","","90.564","0.012","90","","1222.5","1.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-bromo-12H-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one","","- C14 H7 Br N2 O S -","- C14 H7 Br N2 O S -","- C56 H28 Br4 N8 O4 S4 -","4","1","","Zhou, Zhi-Wen; Jia, Feng-Cheng; Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Wu, An-Xin","A concise construction of 12H-benzo[4,5]thiazolo[2,3-b]quinazolin-12-ones via an unusual TBHP/Na2CO3 promoted cascade oxidative cyclization and interrupted Dimroth rearrangement.","Chemical communications (Cambridge, England)","2017","53","6","1056","1059","10.1039/c6cc09376k","","","0.71073","MoKα","","0.1107","0.0612","","","0.1395","0.1547","","","","","","0.91","","","","has coordinates","191470","2020-10-21","18:00:00",""
"7119252","9.903","0.002","27.232","0.005","17.415","0.004","90","","102.93","0.03","90","","4577.4","1.7","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.55 H62.37 N5.77 O5 Yb -","- C45.55 H62.373 N5.775 O5 Yb -","- C182.2 H249.492 N23.1 O20 Yb4 -","4","1","","Molloy, J. K.; Jarjayes, O.; Philouze, C.; Fedele, L.; Imbert, D.; Thomas, F.","A redox active switch for lanthanide luminescence in phenolate complexes.","Chemical communications (Cambridge, England)","2017","53","3","605","608","10.1039/c6cc07942c","","x-ray","0.71073","MoKα","","0.06","0.0373","","","0.0859","0.0966","","","","","","1.041","","","","has coordinates,has disorder","189783","2020-10-21","18:00:00",""
"7119253","9.908","0.002","27.316","0.006","17.341","0.004","90","","102.73","0.03","90","","4577.9","1.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.3 H62.05 N5.65 O5 Tb -","- C45.3 H62.04 N5.65 O5 Tb -","- C181.2 H248.16 N22.6 O20 Tb4 -","4","1","","Molloy, J. K.; Jarjayes, O.; Philouze, C.; Fedele, L.; Imbert, D.; Thomas, F.","A redox active switch for lanthanide luminescence in phenolate complexes.","Chemical communications (Cambridge, England)","2017","53","3","605","608","10.1039/c6cc07942c","","x-ray","0.71073","MoKα","","0.1068","0.0856","","","0.2167","0.2357","","","","","","1.108","","","","has coordinates,has disorder","189783","2020-10-21","18:00:00",""
"7119254","15.9902","0.0005","6.7069","0.0002","15.597","0.0005","90","","107.569","0.002","90","","1594.67","0.09","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Wang, Mo; Zhang, Xiao; Ling, Zheng; Zhang, Zhenfeng; Zhang, Wanbin","Direct enantioselective C-acylation for the construction of a quaternary stereocenter catalyzed by a chiral bicyclic imidazole.","Chemical communications (Cambridge, England)","2017","53","8","1381","1384","10.1039/c6cc09451a","","","1.54178","CuKα","","0.0507","0.0374","","","0.0844","0.0902","","","","","","1.015","","","","has coordinates","191492","2020-10-21","18:00:00",""
"7119255","10.1361","0.0003","20.7607","0.0008","14.8742","0.0007","90","","90","","90","","3130","0.2","293","2","293.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H28 Cl2 N Ni O P -","- C30 H28 Cl2 N Ni O P -","- C120 H112 Cl8 N4 Ni4 O4 P4 -","4","1","","Quan, Mao; Tang, Liang; Shen, Jiaqi; Yang, Guoqiang; Zhang, Wanbin","Ni(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic imines.","Chemical communications (Cambridge, England)","2017","53","3","609","612","10.1039/c6cc08759k","","","0.71073","MoKα","","0.0461","0.0364","","","0.086","0.0916","","","","","","1.026","","","","has coordinates","189785","2020-10-21","18:00:00",""
"7119256","13.4555","0.0008","13.4555","0.0008","37.438","0.003","90","","90","","120","","5870.1","0.7","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C132 H99 Cl F12 Fe2 N36 O2 P2 -","- C132 H99 Cl F12 Fe2 N36 O2 P2 -","- C264 H198 Cl2 F24 Fe4 N72 O4 P4 -","2","0.166667","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1589","0.1402","","","0.3014","0.3137","","","","","","1.099","","","","has coordinates","189786","2020-10-21","18:00:00",""
"7119257","13.4928","0.0006","21.3643","0.001","28.7728","0.0013","73.32","0.003","80.537","0.003","85.23","0.003","7831.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H140 Cl13 Fe5 N36 O2 -","- C166 H137.272 Cl13 Fe5 N36 O2 -","- C332 H274.544 Cl26 Fe10 N72 O4 -","2","1","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.13","0.0805","","","0.1812","0.213","","","","","","1.052","","","","has coordinates,has disorder","189786","2020-10-21","18:00:00",""
"7119258","23.9867","0.0008","13.4513","0.0005","40.6047","0.0014","90","","91.448","0.002","90","","13097","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H119.2 Fe2 I4.8 N36 O6 -","- C140 H111.2 Fe2 I4.8 N36 O6 -","- C560 H444.8 Fe8 I19.2 N144 O24 -","4","0.5","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1096","0.0844","","","0.212","0.2253","","","","","","1.099","","","","has coordinates,has disorder","189786","2020-10-21","18:00:00",""
"7119259","13.5619","0.0005","13.5619","0.0005","37.307","0.002","90","","90","","120","","5942.4","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C132 H99 Br F12 Fe2 N36 O2 P2 -","- C132 H99 Br F12 Fe2 N36 O2 P2 -","- C264 H198 Br2 F24 Fe4 N72 O4 P4 -","2","0.166667","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.0764","0.0651","","","0.1644","0.1725","","","","","","1.15","","","","has coordinates","189786","2020-10-21","18:00:00",""
"7119260","24.356","0.001","13.6794","0.0007","39.437","0.002","90","","97.682","0.003","90","","13021.5","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C134 H104 F13.39 Fe2 I2.88 N36 O2 P2.23 -","- C134 H104 F13.392 Fe2 I2.884 N36 O2 P2.232 -","- C536 H416 F53.568 Fe8 I11.536 N144 O8 P8.928 -","4","1","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1547","0.1231","","","0.3389","0.3705","","","","","","1.06","","","","has coordinates,has disorder","189786","2020-10-21","18:00:00",""
"7119261","10.3921","0.0003","11.9914","0.0003","17.5331","0.0004","80.3565","0.0012","89.9964","0.0014","76.6551","0.0013","2094.17","0.09","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 F3 N4 O -","- C25 H15 F3 N4 O -","- C100 H60 F12 N16 O4 -","4","2","","Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong","Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.","Chemical communications (Cambridge, England)","2017","53","15","2315","2318","10.1039/c6cc09794d","","","1.54178","CuKα","","0.0719","0.0463","","","0.0938","0.106","","","","","","1.047","","","","has coordinates,has disorder","193700","2020-10-21","18:00:00",""
"7119262","7.2823","0.0002","10.5512","0.0003","11.3059","0.0003","92.629","0.001","100.821","0.001","101.197","0.001","833.96","0.04","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 Fe O -","- C22 H20 Fe O -","- C44 H40 Fe2 O2 -","2","1","","Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong","Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.","Chemical communications (Cambridge, England)","2017","53","15","2315","2318","10.1039/c6cc09794d","","","1.54178","CuKα","","0.0373","0.0329","","","0.0734","0.0761","","","","","","1.033","","","","has coordinates,has disorder","193700","2020-10-21","18:00:00",""
"7119263","14.4429","0.0004","8.4127","0.0002","15.5871","0.0004","90","","100.53","0.001","90","","1862","0.08","100","2","100.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O -","- C24 H16 N4 O -","- C96 H64 N16 O4 -","4","1","","Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong","Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.","Chemical communications (Cambridge, England)","2017","53","15","2315","2318","10.1039/c6cc09794d","","","1.54178","CuKα","","0.0819","0.0649","","","0.121","0.1291","","","","","","1.165","","","","has coordinates","193700","2020-10-21","18:00:00",""
"7119264","8.8728","0.0003","9.3584","0.0004","18.8092","0.0006","90","","91.365","0.002","90","","1561.38","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N3 O3 P -","- C34 H38 N3 O3 P -","- C68 H76 N6 O6 P2 -","2","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0427","0.0389","","","0.0985","0.1014","","","","","","1.079","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119265","10.4191","0.0003","9.367","0.0003","32.2457","0.0009","90","","95.25","0.002","90","","3133.84","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N3 O3 P -","- C34 H38 N3 O3 P -","- C136 H152 N12 O12 P4 -","4","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0445","0.0388","","","0.1027","0.1075","","","","","","1.024","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119266","41.6643","0.0009","9.4992","0.0002","18.7706","0.0004","90","","107.661","0.001","90","","7078.8","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 N3 O4 P -","- C38 H46 N3 O4 P -","- C304 H368 N24 O32 P8 -","8","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0541","0.0478","","","0.1289","0.1355","","","","","","1.04","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119267","20.5612","0.0005","29.735","0.0008","10.9975","0.0002","90","","103.325","0.002","90","","6542.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Cl2 N6 O6 P2 Pt -","- C68 H76 Cl2 N6 O6 P2 Pt -","- C272 H304 Cl8 N24 O24 P8 Pt4 -","4","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.078","0.0491","","","0.1034","0.1138","","","","","","1.025","","","","has coordinates,has disorder","189790","2020-10-21","18:00:00",""
"7119268","10.5","0.004","9.336","0.004","22.91","0.01","90","","100.864","0.009","90","","2205.6","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl O3 -","- C24 H26 Cl O3 -","- C96 H104 Cl4 O12 -","4","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin","Bismuth-catalyzed allylation of para-quinone methides.","Chemical communications (Cambridge, England)","2017","53","7","1301","1304","10.1039/c6cc06605d","","","0.71073","MoKα","","0.1257","0.0799","","","0.2117","0.2432","","","","","","1.002","","","","has coordinates,has disorder","191455","2020-10-21","18:00:00",""
"7119269","7.9596","0.0002","15.2341","0.0004","16.7564","0.0005","110.407","0.001","100.757","0.001","97.385","0.001","1829.03","0.09","103","2","102.76","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl3 N2 O4 -","- C17 H15 Cl3 N2 O4 -","- C68 H60 Cl12 N8 O16 -","4","2","","Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman","A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.","Chemical communications (Cambridge, England)","2017","53","10","1692","1695","10.1039/c6cc09261f","","","1.54178","CuKα","","0.0322","0.0296","","","0.0736","0.0748","","","","","","1.026","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7119270","8.5484","0.0003","34.4488","0.0011","15.2307","0.0005","90","","101.098","0.002","90","","4401.3","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C192 H160 N32 O48 -","16","4","","Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman","A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.","Chemical communications (Cambridge, England)","2017","53","10","1692","1695","10.1039/c6cc09261f","","","1.54178","CuKα","","0.0418","0.0363","","","0.0904","0.0941","","","","","","1.036","","","","has coordinates","191467","2020-10-21","18:00:00",""
"7119271","32.029","0.0013","11.6208","0.0005","16.5874","0.0007","90","","103.875","0.002","90","","5993.7","0.4","100","2","99.96","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C256 H224 N32 O64 -","16","4","","Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman","A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.","Chemical communications (Cambridge, England)","2017","53","10","1692","1695","10.1039/c6cc09261f","","","1.54178","CuKα","","0.0646","0.0612","","","0.1726","0.1768","","","","","","1.041","","","","has coordinates","191467","2020-10-21","18:00:00",""
"7119272","6.2485","0.0012","9.5833","0.0019","26.376","0.005","90","","90","","90","","1579.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-benzyl-2-phenyl-4-(trifluoromethyl)-2,5-dihydro-1H-pyrrole","","- C18 H16 F3 N -","- C18 H16 F3 N -","- C72 H64 F12 N4 -","4","1","","Zhou, Xiaofan; Huang, Chaoqian; Zeng, Yu; Xiong, Jiarui; Xiao, Yuanjing; Zhang, Junliang","Silver-catalysed tandem hydroamination and cyclization of 2-trifluoromethyl-1,3-enynes with primary amines: modular entry to 4-trifluoromethyl-3-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","6","1084","1087","10.1039/c6cc09595j","","","0.71073","MoKα","","0.1212","0.0439","","","0.083","0.1092","","","","","","1.022","","","","has coordinates","191472","2020-10-21","18:00:00",""
"7119273","11.015","0.004","14.627","0.005","11.621","0.004","90","","112.793","0.009","90","","1726.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-benzyl-3-iodo-2-phenyl-4-(trifluoromethyl)-1H-pyrrole","","- C18 H13 F3 I N -","- C18 H13 F3 I N -","- C72 H52 F12 I4 N4 -","4","1","","Zhou, Xiaofan; Huang, Chaoqian; Zeng, Yu; Xiong, Jiarui; Xiao, Yuanjing; Zhang, Junliang","Silver-catalysed tandem hydroamination and cyclization of 2-trifluoromethyl-1,3-enynes with primary amines: modular entry to 4-trifluoromethyl-3-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","6","1084","1087","10.1039/c6cc09595j","","","0.71073","MoKα","","0.0378","0.0313","","","0.0687","0.0736","","","","","","1.059","","","","has coordinates","191472","2020-10-21","18:00:00",""
"7119274","19.613","0.003","19.613","0.003","13.849","0.003","90","","90","","120","","4613.6","1.4","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C18 H36 Cu4 N10 O12 -","- C18 H30 Cu4 N9 O6 -","- C72 H120 Cu16 N36 O24 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0932","0.0583","","","0.1581","0.1785","","","","","","1.058","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119275","19.603","0.005","19.603","0.005","13.939","0.005","90","","90","","120","","4639","2","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C24 H48 Cu4 N10 O6 -","- C24 H42 Cu4 N9 -","- C96 H168 Cu16 N36 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71069","MoKα","","0.0709","0.0475","","","0.1204","0.1332","","","","","","1.028","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119276","19.593","0.004","19.593","0.004","13.927","0.003","90","","90","","120","","4630.1","1.7","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C24 H48 Cu4 N10 O6 -","- C24 H42 Cu4 N9 -","- C96 H168 Cu16 N36 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0737","0.0482","","","0.1264","0.1416","","","","","","1.006","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119277","19.6977","0.0013","19.6977","0.0013","13.8757","0.001","90","","90","","120","","4662.5","0.5","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C18 H30 Cu4 N10 O12 -","- C18 H30 Cu4 N9 O6 -","- C72 H120 Cu16 N36 O24 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0782","0.0566","","","0.1424","0.1507","","","","","","1.006","","","","has coordinates,has disorder","191487","2020-10-21","18:00:00",""
"7119278","21.2533","0.0004","21.617","0.0004","25.3669","0.0005","75.244","0.001","83.199","0.002","82.524","0.002","11129.9","0.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C247 H240 Cl4 La4 N16 O8 -","- C247 H240 Cl4 La4 N16 O8 -","- C494 H480 Cl8 La8 N32 O16 -","2","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.1508","0.0879","","","0.2243","0.2794","","","","","","1.026","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119279","20.8963","0.0009","22.8615","0.0008","25.1772","0.001","90","","94.338","0.003","90","","11993.2","0.8","150","","150","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C255 H280 La4 N20 O4 Si8 -","- C255 H279 La4 N20 O4 Si8 -","- C510 H558 La8 N40 O8 Si16 -","2","0.5","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.2382","0.1308","","","0.281","0.3663","","","","","","1.103","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119280","13.2427","0.0003","19.5465","0.0003","16.2","0.0003","90","","106.627","0.002","90","","4018.01","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 N5 O Si2 Sm -","- C38 H62 N5 O Si2 Sm -","- C152 H248 N20 O4 Si8 Sm4 -","4","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.0197","0.0169","","","0.0399","0.0407","","","","","","1.04","","","","has coordinates","191473","2020-10-21","18:00:00",""
"7119281","9.7749","0.0004","10.2099","0.0004","21.6219","0.001","78.582","0.004","80.858","0.004","89.827","0.004","2087.41","0.16","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N4 O3 S2 -","- C46 H48 N4 O3 S2 -","- C92 H96 N8 O6 S4 -","2","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.0747","0.0594","","","0.1686","0.1809","","","","","","1.05","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119282","17.381","0.003","8.9219","0.0008","18.17","0.003","90","","114.373","0.011","90","","2566.5","0.7","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N4 -","- C28 H38 N4 -","- C112 H152 N16 -","4","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.0898","0.0566","","","0.1343","0.1476","","","","","","0.906","","","","has coordinates","191473","2020-10-21","18:00:00",""
"7119283","16.7981","0.0017","18.7804","0.0019","19.323","0.002","82.107","0.009","81.378","0.009","68.045","0.008","5567.9","1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C116 H144 N10 O7 Si4 Sm2 -","- C116 H144 N10 O7 Si4 Sm2 -","- C232 H288 N20 O14 Si8 Sm4 -","2","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.1025","0.0558","","","0.1305","0.1429","","","","","","0.841","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119284","10.6838","0.0005","11.7958","0.0005","20.5532","0.0009","81.999","0.001","81.481","0.001","65.83","0.001","2328.18","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H29 B2 Cl2 F20 O3 P S -","- C46 H29 B2 Cl2 F20 O3 P S -","- C92 H58 B4 Cl4 F40 O6 P2 S2 -","2","1","","Ye, Ke-Yin; Bursch, Markus; Qu, Zheng-Wang; Daniliuc, Constantin G.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Reversible formylborane/SO2 coupling at a frustrated Lewis pair framework.","Chemical communications (Cambridge, England)","2017","53","3","633","635","10.1039/c6cc07071j","","","0.71073","MoKα","","0.0529","0.037","","","0.0842","0.0917","","","","","","1.02","","","","has coordinates","189796","2020-10-21","18:00:00",""
"7119285","19.6527","0.0003","18.1222","0.0003","23.6282","0.0004","90","","99.171","0.001","90","","8307.6","0.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H23 B2 F20 O3 P S -","- C43 H23 B2 F20 O3 P S -","- C344 H184 B16 F160 O24 P8 S8 -","8","1","","Ye, Ke-Yin; Bursch, Markus; Qu, Zheng-Wang; Daniliuc, Constantin G.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Reversible formylborane/SO2 coupling at a frustrated Lewis pair framework.","Chemical communications (Cambridge, England)","2017","53","3","633","635","10.1039/c6cc07071j","","","0.71073","MoKα","","0.0668","0.0495","","","0.1024","0.1096","","","","","","1.034","","","","has coordinates","189796","2020-10-21","18:00:00",""
"7119286","38.444","0.004","6.2239","0.0006","14.5234","0.0013","90","","96.834","0.003","90","","3450.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-((1-(2-Fluorophenyl)vinyl)oxy)-2-phenylquinazoline","","- C22 H15 F N2 O -","- C22 H15 F N2 O -","- C176 H120 F8 N16 O8 -","8","1","","Lingayya, Rajaka; Vellakkaran, Mari; Nagaiah, Kommu; Tadikamalla, Prabhakar Rao; Nanubolu, Jagadeesh Babu","Palladium(ii)-catalyzed direct O-alkenylation of 2-arylquinazolinones with N-tosylhydrazones: an efficient route to O-alkenylquinazolines.","Chemical communications (Cambridge, England)","2017","53","10","1672","1675","10.1039/c6cc09445g","","","0.71073","MoKα","","0.061","0.0443","","","0.1199","0.1325","","","","","","1.029","","","","has coordinates","191468","2020-10-21","18:00:00",""
"7119287","12.406","0.009","5.786","0.004","34.77","0.03","90","","90","","90","","2496","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 N5 O -","- C12 H15 N5 O -","- C96 H120 N40 O8 -","8","2","","Wu, Zhongkai; Xu, Pan; Zhou, Nengneng; Duan, Yingqian; Zhang, Muliang; Zhu, Chengjian","[3+2] Cycloaddition of azide with aldehyde hydrazone through an aminyl radical-polar crossover strategy.","Chemical communications (Cambridge, England)","2017","53","6","1045","1047","10.1039/c6cc08779e","","","0.71073","MoKα","","0.1124","0.0676","","","0.1544","0.1766","","","","","","1.026","","","","has coordinates","191476","2020-10-21","18:00:00",""
"7119288","9.7652","0.0002","25.1903","0.0006","13.2123","0.0004","90","","95.217","0.002","90","","3236.61","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Cu F6 N2 -","- C35 H41 Cu F6 N2 -","- C140 H164 Cu4 F24 N8 -","4","1","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0445","0.0302","","","0.069","0.075","","","","","","1.01","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119289","24.3428","0.0007","16.7818","0.0005","23.2483","0.0007","90","","93.793","0.002","90","","9476.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H71 Cu F6 N4 O2 -","- C45 H71 Cu F6 N4 O2 -","- C360 H568 Cu8 F48 N32 O16 -","8","2","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0676","0.0428","","","0.1034","0.1125","","","","","","1.044","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119290","21.7216","0.0006","22.2834","0.0006","16.5124","0.0005","90","","103.473","0.002","90","","7772.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[iPr2NNF6]Cu-O2N-Cu[iPr2NNF6]","","","- C58 H70 Cu2 F12 N5 O2 -","- C58 H70 Cu2 F12 N5 O2 -","- C232 H280 Cu8 F48 N20 O8 -","4","0.5","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0395","0.0324","","","0.0939","0.099","","","","","","1.036","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119291","12.7356","0.0003","16.3289","0.0004","23.5452","0.0006","81.7","0.001","82.851","0.001","73.675","0.001","4631.6","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H50 Cu F6 N2 P -","- C47 H50 Cu F6 N2 P -","- C188 H200 Cu4 F24 N8 P4 -","4","2","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0453","0.0366","","","0.0921","0.098","","","","","","1.03","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119292","28.6867","0.0015","15.4462","0.0008","37.041","0.003","90","","107.702","0.001","90","","15635.7","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[iPr2NNF6]Cu-CNAr","","","- C83 H96 Cu2 F12 N6 -","- C83 H96 Cu2 F12 N6 -","- C664 H768 Cu16 F96 N48 -","8","1","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0436","0.0318","","","0.0744","0.0781","","","","","","1.033","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119293","11.5964","0.0005","11.5964","0.0005","17.7913","0.0008","90","","90","","90","","2392.51","0.18","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0832","0.0618","","","0.1667","0.1864","","","","","","1.084","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119294","12.8186","0.001","6.8399","0.0006","9.8413","0.0007","90","","90","","90","","862.86","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H7 F3 N2 -","- C9 H7 F3 N2 -","- C36 H28 F12 N8 -","4","0.5","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0728","0.0471","","","0.1138","0.1361","","","","","","1.045","","","","has coordinates,has disorder","191477","2020-10-21","18:00:00",""
"7119295","9.7224","0.0007","11.5982","0.0005","11.6209","0.0008","90","","92.78","0.006","90","","1308.86","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N2 -","- C15 H11 F3 N2 -","- C60 H44 F12 N8 -","4","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.1083","0.0558","","","0.1167","0.1442","","","","","","1.021","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119296","7.2208","0.0007","9.3833","0.0013","9.5826","0.0011","102.706","0.011","105.918","0.01","97.358","0.01","596.67","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 F3 N2 O2 -","- C12 H11 F3 N2 O2 -","- C24 H22 F6 N4 O4 -","2","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0723","0.0553","","","0.1419","0.159","","","","","","1.037","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119297","8.4372","0.0005","13.0507","0.0008","13.307","0.0008","69.771","0.003","85.531","0.003","81.999","0.003","1360.79","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Compound1","","- C19 H20 Cl2 F6 Ge N4 O6 S2 -","- C19 H20 Cl2 F6 Ge N4 O6 S2 -","- C38 H40 Cl4 F12 Ge2 N8 O12 S4 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.0832","0.0613","","","0.1298","0.1417","","","","","","1.092","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119298","20.5748","0.001","13.4785","0.0007","14.7382","0.0008","90","","99.802","0.003","90","","4027.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl F3 Ge N4 O3 S -","- C17 H18 Cl F3 Ge N4 O3 S -","- C136 H144 Cl8 F24 Ge8 N32 O24 S8 -","8","2","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.1342","0.0772","","","0.1397","0.1635","","","","","","1.079","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119299","12.421","0.003","12.98","0.003","17.648","0.004","85.383","0.005","72.526","0.005","75.017","0.005","2621.7","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Compound3","","- C37 H36 Au F15 Ge2 N8 O15 S5 -","- C37 H36 Au F15 Ge2 N8 O15 S5 -","- C74 H72 Au2 F30 Ge4 N16 O30 S10 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.0369","0.0364","","","0.0965","0.097","","","","","","1.095","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119300","8.872","0.003","10.214","0.004","12.585","0.005","90.296","0.007","93.135","0.008","107.603","0.007","1085.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl4 Ge2 N4 -","- C16 H18 Cl4 Ge2 N4 -","- C32 H36 Cl8 Ge4 N8 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","0.71073","MoKα","","0.0476","0.034","","","0.0884","0.0949","","","","","","1.097","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119301","14.699","0.002","15.176","0.003","15.433","0.003","112.989","0.006","103.063","0.006","106.078","0.006","2819.6","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Compound2","","- C39 H39 Ag F15 Ge2 N9 O15 S5 -","- C39 H39 Ag F15 Ge2 N9 O15 S5 -","- C78 H78 Ag2 F30 Ge4 N18 O30 S10 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.066","0.0571","","","0.136","0.1417","","","","","","1.031","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119302","11.3812","0.0009","9.024","0.0007","23.553","0.002","90","","100.181","0.003","90","","2380.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 O2 S -","- C32 H22 O2 S -","- C128 H88 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0964","0.0476","","","0.0896","0.1039","","","","","","1.041","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119303","10.3524","0.0005","10.3346","0.0006","15.3392","0.0009","90","","92.291","0.002","90","","1639.8","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F2 O2 S -","- C20 H12 F2 O2 S -","- C80 H48 F8 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0589","0.0417","","","0.1086","0.1213","","","","","","1.066","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119304","9.6225","0.0009","10.5635","0.0009","10.9316","0.0009","63.981","0.002","64.608","0.003","78.743","0.003","902.05","0.14","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O4 S -","- C22 H18 O4 S -","- C44 H36 O8 S2 -","2","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.1146","0.0574","","","0.0892","0.1054","","","","","","1.012","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119305","9.9496","0.0011","12.5896","0.0012","14.3507","0.0013","90","","99.202","0.004","90","","1774.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0895","0.0462","","","0.0858","0.098","","","","","","1.024","","","","has coordinates,has disorder","191500","2020-10-21","18:00:00",""
"7119306","8.7763","0.0009","18.341","0.002","19.844","0.002","90","","100.092","0.004","90","","3144.8","0.6","172","2","172","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C160 H112 O16 S8 -","8","2","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0842","0.0469","","","0.0747","0.0861","","","","","","1.007","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119307","10.134","0.0005","10.9037","0.0006","17.706","0.0009","90.049","0.002","92.799","0.002","114.437","0.002","1778.61","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","2","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.1079","0.0549","","","0.1026","0.1215","","","","","","1.058","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119308","7.5333","0.0004","10.9876","0.0007","11.6354","0.0008","91.853","0.003","90.826","0.002","95.099","0.002","958.64","0.1","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 F6 O2 S -","- C22 H12 F6 O2 S -","- C44 H24 F12 O4 S2 -","2","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0953","0.0527","","","0.0864","0.0994","","","","","","1.04","","","","has coordinates,has disorder","191500","2020-10-21","18:00:00",""
"7119309","16.9872","0.0011","11.0288","0.0009","12.9726","0.0011","90","","101.237","0.002","90","","2383.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O2 S -","- C28 H30 O2 S -","- C112 H120 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.1276","0.0658","","","0.1114","0.1322","","","","","","1.061","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119310","16.136","0.003","13.126","0.003","34.238","0.007","90","","90.19","0.03","90","","7252","3","113.15","","113.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C102 H98 Cd3 Cl6 K2 N36 O12 -","- C102 H98 Cd3 Cl6 K2 N36 O12 -","- C204 H196 Cd6 Cl12 K4 N72 O24 -","2","0.5","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.1203","0.1023","","","0.2732","0.2903","","","","","","1.031","","","","has coordinates,has disorder","189804","2020-10-21","18:00:00",""
"7119311","12.1538","0.0009","12.1574","0.001","16.1536","0.0014","77.045","0.007","82.55","0.007","83.527","0.007","2297.8","0.3","131.75","0.1","131.75","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Cd N15 O8 -","- C43 H45 Cd N15 O8 -","- C86 H90 Cd2 N30 O16 -","2","1","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.0573","0.0432","","","0.1","0.1113","","","","","","1.036","","","","has coordinates","189804","2020-10-21","18:00:00",""
"7119312","20.477","0.004","23.839","0.005","17.521","0.004","90","","111.11","0.03","90","","7979","3","113.15","","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C244 H171 Cd8 N88 O28 -","- C244 H171 Cd8 N88 O28 -","- C244 H171 Cd8 N88 O28 -","1","0.25","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.1166","0.1001","","","0.2656","0.2835","","","","","","1.018","","","","has coordinates,has disorder","189804","2020-10-21","18:00:00",""
"7119313","6.7936","0.0007","24.851","0.003","17.591","0.002","90","","90.105","0.004","90","","2969.8","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F27 O4 S -","- C20 H15 F27 O4 S -","- C80 H60 F108 O16 S4 -","4","1","","Dichiarante, V.; Tirotta, I.; Catalano, L.; Terraneo, G.; Raffaini, G.; Chierotti, M. R.; Gobetto, R.; Baldelli Bombelli, F.; Metrangolo, P.","Superfluorinated and NIR-luminescent gold nanoclusters.","Chemical communications (Cambridge, England)","2017","53","3","621","624","10.1039/c6cc09324h","","","0.71073","MoKα","","0.0533","0.0403","","","0.0974","0.1048","","","","","","1.014","","","","has coordinates,has disorder","189805","2020-10-21","18:00:00",""
"7119314","8.5653","0.0013","10.5123","0.0016","17.819","0.003","90","","94.319","0.003","90","","1599.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F3 N O2 S -","- C16 H16 F3 N O2 S -","- C64 H64 F12 N4 O8 S4 -","4","1","","Dong, Jinhuan; Xin, Shuang; Wang, Yanqing; Pan, Ling; Liu, Qun","In situ generation and reactions of p-(trifluoromethyl)benzyl electrophiles: an efficient access to p-(trifluoromethyl)benzyl compounds.","Chemical communications (Cambridge, England)","2017","53","10","1668","1671","10.1039/c6cc09268c","","","0.71073","MoKα","","0.0844","0.0632","","","0.1618","0.18","","","","","","1.007","","","","has coordinates","191464","2020-10-21","18:00:00",""
"7119315","6.156","0.002","23.845","0.01","12.467","0.005","90","","100.295","0.007","90","","1800.6","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N2 O6 -","- C38 H44 N2 O6 -","- C76 H88 N4 O12 -","2","0.5","","Hu, Wenbo; He, Tingchao; Jiang, Rongcui; Yin, Jun; Li, Lin; Lu, Xiaomei; Zhao, Hui; Zhang, Lei; Huang, Ling; Sun, Handong; Huang, Wei; Fan, Quli","Inner salt-shaped small molecular photosensitizer with extremely enhanced two-photon absorption for mitochondrial-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","10","1680","1683","10.1039/c6cc09473b","","","0.71073","MoKα","","0.1432","0.0921","","","0.1753","0.1948","","","","","","1.162","","","","has coordinates","191465","2020-10-21","18:00:00",""
"7119316","31.2361","0.0008","31.2361","0.0008","8.08","0.0003","90","","90","","90","","7883.6","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C36 H40 N2 O6 -","- C36 H40 N2 O6 -","- C288 H320 N16 O48 -","8","1","","Hu, Wenbo; He, Tingchao; Jiang, Rongcui; Yin, Jun; Li, Lin; Lu, Xiaomei; Zhao, Hui; Zhang, Lei; Huang, Ling; Sun, Handong; Huang, Wei; Fan, Quli","Inner salt-shaped small molecular photosensitizer with extremely enhanced two-photon absorption for mitochondrial-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","10","1680","1683","10.1039/c6cc09473b","","","1.54178","CuKα","","0.1609","0.1132","","","0.2433","0.2659","","","","","","1.192","","","","has coordinates","191465","2020-10-21","18:00:00",""
"7119317","7.2657","0.0002","15.2058","0.0005","19.3128","0.0008","110.971","0.003","99.332","0.003","95.705","0.002","1937.08","0.13","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","41b","","- C25 H19 F N2 O -","- C25 H19 F N2 O -","- C100 H76 F4 N8 O4 -","4","2","","Yang, Xinglin; Shan, Gang; Yang, Zimo; Huang, Guiyi; Dong, Guoqiang; Sheng, Chunquan; Rao, Yu","One-pot synthesis of quaternary carbon centered cyclobutanes via Pd(ii)-catalyzed cascade C(sp(3))-H activations.","Chemical communications (Cambridge, England)","2017","53","9","1534","1537","10.1039/c6cc06897a","","","1.54178","CuKα","","0.0691","0.0627","","","0.1395","0.1424","","","","","","1.056","","","","has coordinates","191494","2020-10-21","18:00:00",""
"7119318","9.4896","0.0012","14.7995","0.0018","12.088","0.002","90","","91","0.011","90","","1697.4","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4","","- C21 H19 F N2 O -","- C21 H19 F N2 O -","- C84 H76 F4 N8 O4 -","4","1","","Yang, Xinglin; Shan, Gang; Yang, Zimo; Huang, Guiyi; Dong, Guoqiang; Sheng, Chunquan; Rao, Yu","One-pot synthesis of quaternary carbon centered cyclobutanes via Pd(ii)-catalyzed cascade C(sp(3))-H activations.","Chemical communications (Cambridge, England)","2017","53","9","1534","1537","10.1039/c6cc06897a","","","0.71073","MoKα","","0.0654","0.0428","","","0.0982","0.1124","","","","","","1.046","","","","has coordinates","191494","2020-10-21","18:00:00",""
"7119319","10.542","0.002","12.791","0.003","15.052","0.003","97.91","0.03","98.81","0.03","96.16","0.03","1969.5","0.8","77","1","77","1","","","","","","","","4","P 1","P 1","1","cocrystal 3(HBT)","[tris(S,S-dioxides)-trithiasumanene)](1,2,6,7,11,12-hexabutoxytriphenylene)","","- C84 H114 O18 S3 -","- C84 H114 O18 S3 -","- C84 H114 O18 S3 -","1","1","","Hou, Xueqing; Zhu, Yongtao; Qin, Yunke; Chen, Lichuan; Li, Xuexiang; Zhang, Hao-Li; Xu, Wei; Zhu, Daoben; Shao, Xiangfeng","Tris(S,S-dioxide)-trithiasumanene: strong fluorescence and cocrystal with 1,2,6,7,10,11-hexabutoxytriphenylene.","Chemical communications (Cambridge, England)","2017","53","9","1546","1549","10.1039/c6cc09531c","","","0.95382","Synchrotron","","0.0794","0.0793","","","0.1831","0.1834","","","","","","1.171","","","","has coordinates","191499","2020-10-21","18:00:00",""
"7119320","41.379","0.008","6.0824","0.0012","20.059","0.004","90","","106.27","0.03","90","","4846.3","1.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 S2 -","- C62 H54 S2 -","- C248 H216 S8 -","4","0.5","","Wu, Hongzhuo; Fang, Renren; Tao, Jingwei; Wang, Deliang; Qiao, Xiaolan; Yang, Xiaodi; Hartl, František; Li, Hongxiang","Diacenaphthylene-fused benzo[1,2-b:4,5-b']dithiophenes: polycyclic heteroacenes containing full-carbon five-membered aromatic rings.","Chemical communications (Cambridge, England)","2017","53","4","751","754","10.1039/c6cc09184a","","","0.71073","MoKα","","0.0673","0.0492","","","0.1345","0.1505","","","","","","1.033","","","","has coordinates,has disorder","189920","2020-10-21","18:00:00",""
"7119321","13.094","0.0007","14.5388","0.0008","20.6868","0.0012","76.383","0.002","82.589","0.001","80.352","0.002","3756.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 O2 S2 -","- C46 H46 O2 S2 -","- C184 H184 O8 S8 -","4","2","","Wu, Hongzhuo; Fang, Renren; Tao, Jingwei; Wang, Deliang; Qiao, Xiaolan; Yang, Xiaodi; Hartl, František; Li, Hongxiang","Diacenaphthylene-fused benzo[1,2-b:4,5-b']dithiophenes: polycyclic heteroacenes containing full-carbon five-membered aromatic rings.","Chemical communications (Cambridge, England)","2017","53","4","751","754","10.1039/c6cc09184a","","","0.71073","MoKα","","0.166","0.0713","","","0.1635","0.2127","","","","","","0.998","","","","has coordinates","189920","2020-10-21","18:00:00",""
"7119322","15.601","0.002","13.4615","0.0018","7.0024","0.001","90","","90","","90","","1470.6","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","BS-3-93B","BS-3-93B","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.","Chemical communications (Cambridge, England)","2017","53","10","1704","1707","10.1039/c6cc09493g","","","0.71073","MoKα","","0.0576","0.045","","","0.0973","0.1032","","","","","","1.044","","","","has coordinates","191462","2020-10-21","18:00:00",""
"7119323","10.1064","0.001","12.4748","0.0012","21.895","0.002","90","","90","","90","","2760.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C112 H152 N8 O16 S8 -","8","2","","Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.","Chemical communications (Cambridge, England)","2017","53","10","1704","1707","10.1039/c6cc09493g","","","0.71073","MoKα","","0.0587","0.0451","","","0.1001","0.107","","","","","","1.046","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119324","9.98192","0.00009","9.98192","0.00009","11.95006","0.00008","90","","90","","120","","1031.17","0.015","150","","150","","","","","","","","","3","P 32","P 32","145","","","","- C21 H12 O2 -","- C21 H12 O2 -","- C63 H36 O6 -","3","1","","Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro","Sumanene derivatives functionalized at the internal carbon.","Chemical communications (Cambridge, England)","2017","53","4","697","700","10.1039/c6cc08970d","","","1.54184","CuKα","","0.042","0.0407","","","0.1253","0.1264","","","","","","1.114","","","","has coordinates","189922","2020-10-21","18:00:00",""
"7119325","9.98291","0.00007","9.98291","0.00007","11.95223","0.00009","90","","90","","120","","1031.56","0.013","150","","150","","","","","","","","","3","P 31","P 31","144","","","","- C21 H12 O2 -","- C21 H12 O2 -","- C63 H36 O6 -","3","1","","Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro","Sumanene derivatives functionalized at the internal carbon.","Chemical communications (Cambridge, England)","2017","53","4","697","700","10.1039/c6cc08970d","","","1.54184","CuKα","","0.0332","0.033","","","0.1092","0.1095","","","","","","1.063","","","","has coordinates","189922","2020-10-21","18:00:00",""
"7119326","22.4106","0.0009","23.6354","0.0009","15.2117","0.0006","90","","126.403","0.002","90","","6485.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H32 F6 N6 O8 S2 Zn2 -","- C53 H32 F6 N6 O8 S2 Zn2 -","- C212 H128 F24 N24 O32 S8 Zn8 -","4","0.5","","Fan, Cong Bin; Liu, Zhi Qiang; Gong, Le Le; Zheng, An Min; Zhang, Le; Yan, Chang Sheng; Wu, Hui Qiong; Feng, Xue Feng; Luo, Feng","Photoswitching adsorption selectivity in a diarylethene-azobenzene MOF.","Chemical communications (Cambridge, England)","2017","53","4","763","766","10.1039/c6cc08982h","","","0.71073","MoKα","","0.0444","0.0398","","","0.1239","0.1262","","","","","","1.141","","","","has coordinates","189923","2020-10-21","18:00:00",""
"7119327","9.793","0.0007","9.5921","0.0006","15.8816","0.0011","90","","98.943","0.003","90","","1473.71","0.17","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N O -","- C18 H16 F N O -","- C72 H64 F4 N4 O4 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.0954","0.0648","","","0.1491","0.1695","","","","","","1.023","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119328","9.5444","0.0005","10.0871","0.0006","15.2076","0.0011","90","","90","","90","","1464.12","0.16","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br F N O -","- C17 H13 Br F N O -","- C68 H52 Br4 F4 N4 O4 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.0636","0.0351","","","0.0657","0.075","","","","","","1.021","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119329","11.855","0.003","16.44","0.005","15.069","0.004","90","","91.469","0.007","90","","2935.9","1.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br F N O -","- C17 H13 Br F N O -","- C136 H104 Br8 F8 N8 O8 -","8","2","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.1304","0.0787","","","0.1877","0.215","","","","","","1.08","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119330","12.1739","0.0003","11.0034","0.0003","9.8232","0.0003","90","","90.269","0.002","90","","1315.85","0.06","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F N O2 -","- C16 H12 F N O2 -","- C64 H48 F4 N4 O8 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","1.54178","CuKα","","0.0622","0.0565","","","0.1431","0.1508","","","","","","1.093","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119331","15.2794","0.0004","9.0171","0.0002","13.5025","0.0004","90","","111.891","0.001","90","","1726.18","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Oxo-BODIPY","Zwitterionic Oxo-BODIPY","","- C18 H13 B F7 N3 O -","- C18 H13 B F7 N3 O -","- C72 H52 B4 F28 N12 O4 -","4","1","","Sekhar, Adiki Raja; Sariki, Santhosh Kumar; Reddy, R. V. Ramana; Bisai, Alakesh; Sahu, Pushpendra Kumar; Tomar, Raghuvir S.; Sankar, Jeyaraman","Zwitterionic BODIPYs with large stokes shift: small molecular biomarkers for live cells.","Chemical communications (Cambridge, England)","2017","53","6","1096","1099","10.1039/c6cc09325f","","","0.71073","MoKα","","0.0483","0.0373","","","0.099","0.1079","","","","","","1.051","","","","has coordinates","191474","2020-10-21","18:00:00",""
"7119332","15.712","0.005","9.184","0.003","13.544","0.004","90","","111.297","0.008","90","","1820.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imino-BODIPY","Zwitterionic Imino-BODIPY","","- C19 H16 B F7 N4 -","- C19 H16 B F7 N4 -","- C76 H64 B4 F28 N16 -","4","1","","Sekhar, Adiki Raja; Sariki, Santhosh Kumar; Reddy, R. V. Ramana; Bisai, Alakesh; Sahu, Pushpendra Kumar; Tomar, Raghuvir S.; Sankar, Jeyaraman","Zwitterionic BODIPYs with large stokes shift: small molecular biomarkers for live cells.","Chemical communications (Cambridge, England)","2017","53","6","1096","1099","10.1039/c6cc09325f","","","0.71073","MoKα","","0.2394","0.0645","","","0.1269","0.1699","","","","","","0.959","","","","has coordinates","191474","2020-10-21","18:00:00",""
"7119333","11.41025","0.00011","13.66762","0.00012","23.3661","0.0003","90","","100.054","0.001","90","","3588.01","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Br O2 P2 W -","- C35 H53 Br O2 P2 W -","- C140 H212 Br4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","High oxidation state bromocarbyne complexes.","Chemical communications (Cambridge, England)","2017","53","4","759","762","10.1039/c6cc08946a","","x-ray","1.54184","CuKα","","0.0343","0.0339","","","0.0908","0.0914","","","","","","1.085","","","","has coordinates","189926","2020-10-21","18:00:00",""
"7119334","11.714","0.0004","15.844","0.0003","20.4006","0.0004","81.812","0.0017","88.384","0.002","84.131","0.002","3727.68","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 Br6 P4 W2 -","- C66 H106 Br6 P4 W2 -","- C132 H212 Br12 P8 W4 -","2","1","","Hill, Anthony F.; Kong, Richard Y.","High oxidation state bromocarbyne complexes.","Chemical communications (Cambridge, England)","2017","53","4","759","762","10.1039/c6cc08946a","","x-ray","1.54184","CuKα","","0.0446","0.0378","","","0.0968","0.1018","","","","","","1.055","","","","has coordinates,has disorder","189926","2020-10-21","18:00:00",""
"7119335","18.5723","0.0003","15.8298","0.0003","25.1171","0.0006","90","","100.001","0.002","90","","7272.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H98 Br8 Cl4 P4 W2 -","- C56 H97.469 Br8 Cl4 P4 W2 -","- C224 H389.876 Br32 Cl16 P16 W8 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","High oxidation state bromocarbyne complexes.","Chemical communications (Cambridge, England)","2017","53","4","759","762","10.1039/c6cc08946a","","x-ray","0.71073","MoKα","","0.0592","0.0411","","","0.0678","0.0721","","","","","","1.098","","","","has coordinates,has disorder","189926","2020-10-21","18:00:00",""
"7119336","10.7913","0.0016","23.085","0.004","9.7956","0.0012","90","","98.37","0.014","90","","2414.3","0.6","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H11 N3 Ni0.5 -","- C16.5 H11 N3 Ni0.5 -","- C132 H88 N24 Ni4 -","8","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71073","MoKα","","0.1041","0.0902","","","0.2609","0.2814","","","","","","1.07","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119337","14.9222","0.001","10.1071","0.0007","16.9856","0.0011","90","","111.902","0.002","90","","2376.9","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N5 Ni -","- C32 H23 N5 Ni -","- C128 H92 N20 Ni4 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71073","MoKα","","0.0351","0.0301","","","0.0784","0.0819","","","","","","1.092","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119338","16.003","0.002","10.6329","0.0014","17.07","0.002","90","","100.125","0.004","90","","2859.4","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Cl2 F5 N5 Ni -","- C33 H20 Cl2 F5 N5 Ni -","- C132 H80 Cl8 F20 N20 Ni4 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71073","MoKα","","0.094","0.0694","","","0.1374","0.1479","","","","","","1.078","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119339","11.547","0.004","7.327","0.002","32.081","0.009","90","","96.234","0.005","90","","2698.2","1.4","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N5 Ni -","- C35 H29 N5 Ni -","- C140 H116 N20 Ni4 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71075","MoKα","","0.0333","0.032","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119340","17.128","0.004","11.539","0.002","21.492","0.004","90","","94.759","0.003","90","","4233","1.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H31.5 F9 N7.5 Ni1.5 -","- C51 H31.5 F9 N7.5 Ni1.5 -","- C204 H126 F36 N30 Ni6 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71075","MoKα","","0.0784","0.0695","","","0.1807","0.1885","","","","","","1.083","","","","has coordinates,has disorder","191478","2020-10-21","18:00:00",""
"7119341","9.9447","0.0018","9.7882","0.0017","14.404","0.003","90","","99.979","0.004","90","","1380.9","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl N2 O -","- C34 H31 Cl N2 O -","- C68 H62 Cl2 N4 O2 -","2","1","","Liu, Suna; Yang, Pu; Peng, Shiyong; Zhu, Chenghao; Cao, Shengyu; Li, Jian; Sun, Jiangtao","Gold-catalyzed sequential annulations towards 3,4-fused bi/tri-cyclic furans involving a [3+2+2]-cycloaddition.","Chemical communications (Cambridge, England)","2017","53","6","1152","1155","10.1039/c6cc09154g","","","0.71073","MoKα","","0.0639","0.0473","","","0.1273","0.1408","","","","","","1.05","","","","has coordinates","191479","2020-10-21","18:00:00",""
"7119342","24.7202","0.0005","13.679","0.0002","16.2972","0.0003","90","","95.893","0.0016","90","","5481.74","0.17","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 P2 S4 Zr2 -","- C52 H84 P2 S4 Zr2 -","- C208 H336 P8 S16 Zr8 -","4","0.5","","Seitz, A. E.; Heinl, V.; Timoshkin, A. Y.; Scheer, M.","Transformation of nortricyclane type cage compounds P4S3, P4Se3 and As4S3 by [Cp''2Zr(CO)2].","Chemical communications (Cambridge, England)","2017","53","6","1172","1175","10.1039/c6cc09427a","","x-ray","1.54184","CuKα","","0.0397","0.0344","","","0.0883","0.0941","","","","","","1.055","","","","has coordinates","191480","2020-10-21","18:00:00",""
"7119343","15.2831","0.0003","9.91947","0.00018","18.625","0.0003","90","","102.835","0.0018","90","","2753","0.09","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 P2 Se4 Zr2 -","- C52 H84 P2 Se4 Zr2 -","- C104 H168 P4 Se8 Zr4 -","2","0.5","","Seitz, A. E.; Heinl, V.; Timoshkin, A. Y.; Scheer, M.","Transformation of nortricyclane type cage compounds P4S3, P4Se3 and As4S3 by [Cp''2Zr(CO)2].","Chemical communications (Cambridge, England)","2017","53","6","1172","1175","10.1039/c6cc09427a","","x-ray","1.54184","CuKα","","0.0624","0.0518","","","0.1236","0.1327","","","","","","1.021","","","","has coordinates","211412","2020-10-21","18:00:00",""
"7119344","12.6043","0.0002","12.6538","0.0002","24.3651","0.0004","90","","95.3864","0.0015","90","","3868.89","0.11","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H116 As2 S4 Zr2 -","- C80 H116 As2 S4 Zr2 -","- C160 H232 As4 S8 Zr4 -","2","0.5","","Seitz, A. E.; Heinl, V.; Timoshkin, A. Y.; Scheer, M.","Transformation of nortricyclane type cage compounds P4S3, P4Se3 and As4S3 by [Cp''2Zr(CO)2].","Chemical communications (Cambridge, England)","2017","53","6","1172","1175","10.1039/c6cc09427a","","x-ray","1.54184","CuKα","","0.0444","0.0334","","","0.0779","0.0842","","","","","","1.021","","","","has coordinates","191480","2020-10-21","18:00:00",""
"7119345","8.7354","0.0006","23.0026","0.0014","11.6433","0.0007","90","","100.207","0.004","90","","2302.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 K N2 Si2 -","- C17 H35 K N2 Si2 -","- C68 H140 K4 N8 Si8 -","4","1","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0996","0.0705","","","0.1845","0.2145","","","","","","0.98","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119346","12.438","0.0006","12.438","0.0006","16.1574","0.0011","90","","90","","120","","2164.7","0.2","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C35.5 H63 La Si6 -","- C35.4999 H57 La Si6 -","- C70.9998 H114 La2 Si12 -","2","0.333333","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0352","0.031","","","0.0842","0.0941","","","","","","1.107","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119347","22.3238","0.0015","19.8412","0.0013","19.9211","0.0013","90","","116.076","0.001","90","","7925.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Ce Si6 -","- C33 H57 Ce Si6 -","- C264 H456 Ce8 Si48 -","8","2","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0506","0.0306","","","0.0598","0.0713","","","","","","1.037","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119348","22.3348","0.0019","19.8432","0.0017","19.8549","0.0017","90","","116.017","0.001","90","","7907.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Nd Si6 -","- C33 H57 Nd Si6 -","- C264 H456 Nd8 Si48 -","8","2","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0624","0.0346","","","0.0628","0.0776","","","","","","1.036","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119349","22.331","0.0006","19.8399","0.0005","19.8802","0.0005","90","","116.047","0.001","90","","7913.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Pr Si6 -","- C33 H57 Pr Si6 -","- C264 H456 Pr8 Si48 -","8","2","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","1.54178","CuKα","","0.071","0.0695","","","0.1909","0.1931","","","","","","1.117","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119364","10.2044","0.0002","12.8835","0.0002","19.3776","0.0004","90","","93.6752","0.0018","90","","2542.3","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0489","0.0437","","","0.1137","0.1186","","","","","","1.02","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119365","10.2113","0.0002","12.9889","0.0002","19.6876","0.0004","90","","93.2672","0.0018","90","","2606.99","0.08","298.01","0.1","298.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0533","0.0436","","","0.1129","0.1215","","","","","","1.043","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119366","10.2926","0.0005","13.0726","0.0005","19.6371","0.0008","90.988","0.003","93.801","0.003","90.596","0.003","2635.8","0.2","308.01","0.1","308.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","2","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.091","0.0655","","","0.1744","0.2002","","","","","","1.019","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119367","10.3266","0.0006","13.1023","0.0006","19.6014","0.0009","90.696","0.004","93.869","0.004","90.429","0.004","2645.8","0.2","312","0.1","312","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","2","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0984","0.0673","","","0.1762","0.2083","","","","","","0.998","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119368","10.3632","0.0003","13.1281","0.0003","19.5466","0.0005","90","","94.034","0.003","90","","2652.71","0.12","318.01","0.1","318.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0616","0.0452","","","0.1186","0.1314","","","","","","1.036","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119369","10.397","0.0004","13.1513","0.0004","19.5205","0.0006","90","","94.14","0.003","90","","2662.15","0.15","330","0.1","330","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0643","0.0483","","","0.1278","0.1431","","","","","","1.04","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119370","9.0301","0.0013","16.641","0.002","25.46","0.004","90","","90","","90","","3825.9","0.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 Fe N4 O11 S -","- C35 H43 Fe N4 O11 S -","- C140 H172 Fe4 N16 O44 S4 -","4","1","","Pulukkody, Randara; Chupik, Rachel B.; Montalvo, Steven K.; Khan, Sarosh; Bhuvanesh, Nattamai; Lim, Soon-Mi; Darensbourg, Marcetta Y.","Toward biocompatible dinitrosyl iron complexes: sugar-appended thiolates.","Chemical communications (Cambridge, England)","2017","53","6","1180","1183","10.1039/c6cc08659d","","","0.71073","MoKα","","0.0414","0.0354","","","0.0898","0.0949","","","","","","1.073","","","","has coordinates,has disorder","191475","2020-10-21","18:00:00",""
"7119371","13.7895","0.0016","19.91","0.002","18.5249","0.0018","90","","95.484","0.005","90","","5062.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B N S -","- C30 H30 B N S -","- C240 H240 B8 N8 S8 -","8","1","","Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy","Diarylboryl-phenothiazine based multifunctional molecular siblings.","Chemical communications (Cambridge, England)","2017","53","26","3641","3644","10.1039/c6cc09717k","","","0.71073","MoKα","","0.0614","0.0501","","","0.1507","0.1589","","","","","","1.081","","","","has coordinates","194957","2020-10-21","18:00:00",""
"7119372","18.7282","0.0006","18.7282","0.0006","34.3232","0.0011","90","","90","","120","","10425.8","0.6","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C28 H26 B N S -","- C28 H26 B N S -","- C504 H468 B18 N18 S18 -","18","1","","Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy","Diarylboryl-phenothiazine based multifunctional molecular siblings.","Chemical communications (Cambridge, England)","2017","53","26","3641","3644","10.1039/c6cc09717k","","","0.71073","MoKα","","0.1226","0.0639","","","0.1221","0.1568","","","","","","0.989","","","","has coordinates","194957","2020-10-21","18:00:00",""
"7119390","31.6875","0.0019","12.3025","0.0006","24.4541","0.0014","90","","111.423","0.001","90","","8874.4","0.9","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H43 Cl N O6 S2 -","- C55 H43 Cl N O6 S2 -","- C440 H344 Cl8 N8 O48 S16 -","8","1","","Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai","Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.","Chemical communications (Cambridge, England)","2017","53","10","1684","1687","10.1039/c6cc08996h","","","0.71073","MoKα","","0.0552","0.0503","","","0.1398","0.1429","","","","","","1.043","","","","has coordinates","191461","2020-10-21","18:00:00",""
"7119391","12.092","0.002","12.945","0.002","13.599","0.003","98.723","0.003","112.832","0.004","96.192","0.002","1906.4","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl3 N3 O6 S2 -","- C39 H35 Cl3 N3 O6 S2 -","- C78 H70 Cl6 N6 O12 S4 -","2","1","","Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai","Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.","Chemical communications (Cambridge, England)","2017","53","10","1684","1687","10.1039/c6cc08996h","","","0.71073","MoKα","","0.0446","0.0416","","","0.1182","0.1207","","","","","","1.015","","","","has coordinates,has disorder","191461","2020-10-21","18:00:00",""
"7119392","14.539","0.002","10.3664","0.0009","17.82","0.002","90","","108.211","0.015","90","","2551.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O4 S -","- C30 H28 N4 O4 S -","- C120 H112 N16 O16 S4 -","4","1","","Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai","Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.","Chemical communications (Cambridge, England)","2017","53","10","1684","1687","10.1039/c6cc08996h","","x-ray","0.71073","MoKα","","0.0771","0.0479","","","0.1064","0.1228","","","","","","1.029","","","","has coordinates","191461","2020-10-21","18:00:00",""
"7119393","15.3537","0.0005","14.2772","0.0005","19.1707","0.0008","90","","104.615","0.004","90","","4066.4","0.3","123.1","","123.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H110 Mg2 N10 -","- C93 H110 Mg2 N10 -","- C186 H220 Mg4 N20 -","2","0.5","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","0.71073","MoKα","","0.069","0.0453","","","0.1034","0.1183","","","","","","1.026","","","","has coordinates,has disorder","194956","2020-10-21","18:00:00",""
"7119394","11.5906","0.0004","15.2013","0.0006","17.8446","0.0007","90","","98.976","0.004","90","","3105.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Mg N5 -","- C32 H45 Mg N5 -","- C128 H180 Mg4 N20 -","4","1","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","1.5418","CuKα","","0.0474","0.0419","","","0.1099","0.115","","","","","","1.04","","","","has coordinates","194956","2020-10-21","18:00:00",""
"7119395","9.2553","0.0009","12.7671","0.0013","16.8484","0.0016","84.318","0.002","82.946","0.002","86.524","0.002","1963.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H55 F2 Mg N3 O -","- C44 H55 F2 Mg N3 O -","- C88 H110 F4 Mg2 N6 O2 -","2","1","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","0.6889","synchrotron","","0.0545","0.0477","","","0.1234","0.1275","","","","","","1.119","","","","has coordinates,has disorder","194956","2020-10-21","18:00:00",""
"7119396","12.3525","0.0007","12.408","0.0008","22.7369","0.0014","101.488","0.003","92.55","0.003","93.804","0.003","3401.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Mg2 N6 O -","- C74 H102 Mg2 N6 O -","- C148 H204 Mg4 N12 O2 -","2","1","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","0.6889","synchrotron","","0.0875","0.0561","","","0.1421","0.1595","","","","","","1.066","","","","has coordinates","194956","2020-10-21","18:00:00",""
"7119397","10.7648","0.0008","12.8654","0.0011","13.4034","0.0012","96.729","0.007","109.851","0.008","103.994","0.007","1653.3","0.3","123","2","123","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C73 H96 Mg2 N8 -","- C73 H96 Mg2 N8 -","- C73 H96 Mg2 N8 -","1","0.5","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","x-ray","0.71073","MoKα","","0.1062","0.0776","","","0.2137","0.24","","","","","","1.082","","","","has coordinates,has disorder","194956","2020-10-21","18:00:00",""
"7119398","9.9688","0.0002","19.2157","0.0004","14.5392","0.0003","90","","99.702","0.002","90","","2745.26","0.1","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N0 O12 P4 Si Zr -","- C24 H20 O12 P4 Si Zr -","- C96 H80 O48 P16 Si4 Zr4 -","4","1","","Gao, Chao-Ying; Ai, Jing; Tian, Hong-Rui; Wu, Dai; Sun, Zhong-Ming","An ultrastable zirconium-phosphonate framework as bifunctional catalyst for highly active CO2 chemical transformation.","Chemical communications (Cambridge, England)","2017","53","7","1293","1296","10.1039/c6cc08773f","","","1.54184","CuKα","","0.0611","0.0488","","","0.1364","0.1507","","","","","","1.054","","","","has coordinates","191457","2020-10-21","18:00:00",""
"7119399","9.1407","0.0008","10.98","0.001","18.0686","0.0016","105.432","0.001","91.962","0.001","108.604","0.001","1642.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 O4 Se -","- C39 H36 O4 Se -","- C78 H72 O8 Se2 -","2","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.066","0.0413","","","0.1005","0.1116","","","","","","0.989","","","","has coordinates","191496","2020-10-21","18:00:00",""
"7119400","14.263","0.002","8.8263","0.0013","27.54","0.004","90","","97.494","0.002","90","","3437.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 O4 Se -","- C39 H36 O4 Se -","- C156 H144 O16 Se4 -","4","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.2105","0.0883","","","0.1485","0.1822","","","","","","0.977","","","","has coordinates,has disorder","191496","2020-10-21","18:00:00",""
"7119401","11.1578","0.001","11.3581","0.001","12.6856","0.0011","86.395","0.001","80.464","0.001","64.078","0.001","1425.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Cl2 O4 Se -","- C33 H22 Cl2 O4 Se -","- C66 H44 Cl4 O8 Se2 -","2","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.0446","0.0336","","","0.0799","0.0853","","","","","","0.988","","","","has coordinates","191496","2020-10-21","18:00:00",""
"7119402","11.8983","0.0012","24.716","0.002","12.991","0.0009","90","","120.114","0.006","90","","3304.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 O4 Se -","- C38 H34 O4 Se -","- C152 H136 O16 Se4 -","4","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.185","0.1178","","","0.3851","0.4433","","","","","","1.086","","","","has coordinates","191496","2020-10-21","18:00:00",""
"7119403","12.8202","0.0004","14.9253","0.0004","30.2522","0.0008","90","","95.4151","0.0015","90","","5762.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 B Fe K N6 O10 -","- C54 H84 B Fe K N6 O10 -","- C216 H336 B4 Fe4 K4 N24 O40 -","4","1","","Hickey, Anne K.; Lutz, Sean A.; Chen, Chun-Hsing; Smith, Jeremy M.","Two-state reactivity in C-H activation by a four-coordinate iron(0) complex.","Chemical communications (Cambridge, England)","2017","53","7","1245","1248","10.1039/c6cc09244f","","","0.71073","MoKα","","0.0953","0.0603","","","0.1481","0.1654","","","","","","1.052","","","","has coordinates,has disorder","191459","2020-10-21","18:00:00",""
"7119404","16.407","0.004","23.902","0.009","14.901","0.003","90","","103.206","0.017","90","","5689","3","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C20 H52 Cl4 N8 O14.5 Pd2 Pt2 S4 -","- C20 H52 Cl4 N8 O14.5 Pd2 Pt2 S4 -","- C80 H208 Cl16 N32 O58 Pd8 Pt8 S16 -","4","1","","Kuwamura, Naoto; Kurioka, Yoshinari; Konno, Takumi","A platinum(ii)-palladium(ii)-nickel(ii) heterotrimetallic coordination polymer showing a cooperative effect on catalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2017","53","5","846","849","10.1039/c6cc08789b","","","0.71075","MoKα","","0.0341","0.0324","","","0.0989","0.0998","","","","","","1.047","","","","has coordinates,has disorder","190361","2020-10-21","18:00:00",""
"7119405","22.503","0.003","9.065","0.001","18.45","0.002","90","","119.332","0.008","90","","3281.1","0.7","200","2","200","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C20 H48 Cl2 N8 Ni O26 Pd2 Pt2 S4 -","- C20 H48 Cl2 N8 Ni O26 Pd2 Pt2 S4 -","- C40 H96 Cl4 N16 Ni2 O52 Pd4 Pt4 S8 -","2","0.5","","Kuwamura, Naoto; Kurioka, Yoshinari; Konno, Takumi","A platinum(ii)-palladium(ii)-nickel(ii) heterotrimetallic coordination polymer showing a cooperative effect on catalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2017","53","5","846","849","10.1039/c6cc08789b","","","0.71075","MoKα","","0.0666","0.0569","","","0.1597","0.1658","","","","","","1.058","","","","has coordinates,has disorder","190361","2020-10-21","18:00:00",""
"7119406","13.365","0.002","17.037","0.003","16.781","0.003","90","","98.932","0.003","90","","3774.7","1.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa","Regioselective switching approach for the synthesis of α and δ carboline derivatives.","Chemical communications (Cambridge, England)","2017","53","10","1676","1679","10.1039/c6cc09468f","","","0.71073","MoKα","","0.0789","0.0505","","","0.1344","0.1512","","","","","","1.058","","","","has coordinates","191463","2020-10-21","18:00:00",""
"7119407","9.48","0.0012","13.2295","0.0016","15.0067","0.0019","88.685","0.004","73.346","0.004","86.478","0.004","1799.7","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","2","","Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa","Regioselective switching approach for the synthesis of α and δ carboline derivatives.","Chemical communications (Cambridge, England)","2017","53","10","1676","1679","10.1039/c6cc09468f","","","0.71073","MoKα","","0.053","0.0374","","","0.0892","0.104","","","","","","1.084","","","","has coordinates","191463","2020-10-21","18:00:00",""
"7119408","8.2571","0.0007","16.859","0.0015","17.1654","0.0015","66.416","0.005","86.395","0.005","89.79","0.005","2185","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","2","","Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa","Regioselective switching approach for the synthesis of α and δ carboline derivatives.","Chemical communications (Cambridge, England)","2017","53","10","1676","1679","10.1039/c6cc09468f","","","0.71073","MoKα","","0.1235","0.0921","","","0.2654","0.2855","","","","","","1.064","","","","has coordinates","191463","2020-10-21","18:00:00",""
"7119409","8.3703","0.0002","9.2341","0.0002","11.1634","0.0003","90.457","0.001","110.366","0.001","100.752","0.001","792.21","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0225","0.0217","","","0.0556","0.056","","","","","","1.032","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119410","8.3664","0.0002","9.236","0.0003","11.163","0.0003","90.482","0.002","110.353","0.002","100.726","0.001","792.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0227","0.0217","","","0.0535","0.054","","","","","","1.042","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119411","8.3788","0.0002","9.2243","0.0002","11.1762","0.0003","90.546","0.002","110.397","0.001","100.564","0.001","793.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0231","0.0221","","","0.055","0.0556","","","","","","1.031","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119412","8.3909","0.0002","9.2121","0.0002","11.1901","0.0003","90.62","0.002","110.447","0.002","100.385","0.001","794.64","0.04","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0244","0.0231","","","0.0581","0.0588","","","","","","1.029","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119413","8.4043","0.0003","9.199","0.0003","11.2066","0.0004","90.703","0.002","110.501","0.002","100.187","0.002","796.14","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0252","0.0238","","","0.0605","0.0613","","","","","","1.048","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119414","8.4179","0.0002","9.1829","0.0002","11.2234","0.0003","90.807","0.002","110.554","0.001","99.951","0.001","797.49","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0271","0.0254","","","0.0656","0.0665","","","","","","1.049","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119415","8.4318","0.0002","9.1634","0.0002","11.2411","0.0003","90.933","0.001","110.602","0.001","99.686","0.001","798.71","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0285","0.0266","","","0.0682","0.0692","","","","","","1.035","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119416","8.4474","0.0002","9.1453","0.0002","11.2631","0.0003","91.059","0.001","110.661","0.001","99.39","0.001","800.52","0.03","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0306","0.0286","","","0.0733","0.0745","","","","","","1.06","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119417","8.4619","0.0002","9.1264","0.0002","11.2843","0.0003","91.177","0.002","110.717","0.001","99.088","0.001","802.11","0.03","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0329","0.0306","","","0.0771","0.0787","","","","","","1.026","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119418","8.1653","0.0002","8.8929","0.0002","11.2602","0.0002","92.327","0.001","107.639","0.001","95.663","0.001","773.25","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0245","0.0224","","","0.0538","0.0548","","","","","","1.067","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119419","8.1663","0.0002","8.8936","0.0002","11.26","0.0002","92.305","0.001","107.67","0.001","95.665","0.001","773.27","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0246","0.0229","","","0.0538","0.0545","","","","","","1.059","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119420","8.1696","0.0001","8.8871","0.0002","11.2748","0.0002","92.312","0.001","107.662","0.001","95.599","0.001","774.17","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0247","0.0227","","","0.0548","0.0556","","","","","","1.046","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119421","8.1718","0.0001","8.8796","0.0002","11.2884","0.0002","92.322","0.001","107.661","0.001","95.53","0.001","774.77","0.02","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0242","0.0224","","","0.0535","0.0542","","","","","","1.04","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119422","8.1742","0.0001","8.8724","0.0002","11.3032","0.0002","92.343","0.001","107.665","0.001","95.457","0.001","775.46","0.02","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.024","0.0222","","","0.0536","0.0543","","","","","","1.06","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119423","8.1769","0.0001","8.8656","0.0001","11.3207","0.0002","92.361","0.001","107.667","0.001","95.383","0.001","776.416","0.019","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0246","0.0225","","","0.0543","0.0552","","","","","","1.033","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119424","8.1794","0.0001","8.8596","0.0001","11.3396","0.0002","92.373","0.001","107.679","0.001","95.309","0.001","777.476","0.019","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0253","0.0229","","","0.0555","0.0565","","","","","","1.067","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119425","8.1816","0.0001","8.8537","0.0001","11.36","0.0002","92.384","0.001","107.705","0.001","95.233","0.001","778.558","0.019","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0263","0.0242","","","0.0588","0.0596","","","","","","1.043","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119426","8.1838","0.0001","8.8496","0.0001","11.3819","0.0002","92.384","0.001","107.74","0.001","95.16","0.001","779.865","0.019","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0276","0.025","","","0.0628","0.064","","","","","","1.06","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119427","8.186","0.0001","8.8468","0.0001","11.4059","0.0001","92.381","0.001","107.782","0.001","95.089","0.001","781.397","0.015","260","2","260","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0299","0.0266","","","0.0645","0.0662","","","","","","1.062","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119428","8.1882","0.0001","8.8452","0.0001","11.4318","0.0001","92.376","0.001","107.837","0.001","95.018","0.001","783.107","0.016","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0314","0.0281","","","0.0694","0.071","","","","","","1.043","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119429","8.1911","0.0001","8.8481","0.0001","11.4585","0.0002","92.343","0.001","107.95","0.001","94.957","0.001","785.09","0.02","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0346","0.0309","","","0.0746","0.0764","","","","","","1.065","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119430","8.1801","0.0019","8.831","0.002","11.441","0.003","92.396","0.002","107.797","0.002","94.95","0.003","782","0.3","247","2","247","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0577","0.044","","","0.0913","0.1005","","","","","","1.05","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119431","8.385","0.003","9.21","0.003","11.159","0.004","90.459","0.004","110.476","0.004","100.507","0.005","791.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0673","0.0514","","","0.1248","0.1353","","","","","","1.026","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119432","7.754","0.003","10.149","0.005","11.964","0.005","97.693","0.009","108.065","0.008","95.123","0.009","878.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Ni, Chunjie; Zhang, Yuwen; Hou, Yading; Tong, Xiaofeng","Access to thiopyrano[2,3-b]indole via tertiary amine-catalyzed formal (3+3) annulations of β'-acetoxy allenoates with indoline-2-thiones.","Chemical communications (Cambridge, England)","2017","53","17","2567","2570","10.1039/c6cc09788j","","","0.71073","MoKα","","0.0598","0.05","","","0.1351","0.1565","","","","","","1.073","","","","has coordinates","193674","2020-10-21","18:00:00",""
"7119433","14.2548","0.0008","24.6361","0.0014","25.133","0.0016","90","","90","","90","","8826.3","0.9","293","3","293","3","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C304 H304 N48 O96 -","16","4","","Kokan, Zoran; Perić, Berislav; Vazdar, Mario; Marinić, Željko; Vikić-Topić, Dražen; Meštrović, Ernest; Kirin, Srećko I","Metal-induced supramolecular chirality inversion of small self-assembled molecules in solution.","Chemical communications (Cambridge, England)","2017","53","12","1945","1948","10.1039/c6cc09203a","","x-ray","1.54184","CuKα","","0.1489","0.0884","","","0.2173","0.2767","","","","","","0.899","","","","has coordinates","193719","2020-10-21","18:00:00",""
"7119434","9.6691","0.0003","17.4598","0.0005","20.4487","0.0006","90","","94.891","0.002","90","","3439.59","0.18","223.01","0.1","223.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cr2 Cu4 N12 O23 -","- C44 H46 Cr2 Cu4 N12 O23 -","- C88 H92 Cr4 Cu8 N24 O46 -","2","0.5","","Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Ke; Li, Bao-Long; Li, Hai-Yan","An unusual porous cationic metal-organic framework based on a tetranuclear hydroxyl-copper(ii) cluster for fast and highly efficient dichromate trapping through a single-crystal to single-crystal process.","Chemical communications (Cambridge, England)","2017","53","11","1860","1863","10.1039/c6cc09676j","","","0.71073","MoKα","","0.0703","0.0579","","","0.1699","0.1779","","","","","","1.027","","","","has coordinates,has disorder","191488","2020-10-21","18:00:00",""
"7119435","9.6552","0.0002","17.1958","0.0005","20.8804","0.0006","90","","94.231","0.002","90","","3457.3","0.16","223.01","0.1","223.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br Cu2 N6 O5 -","- C22 H21 Br Cu2 N6 O5 -","- C88 H84 Br4 Cu8 N24 O20 -","4","1","","Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Ke; Li, Bao-Long; Li, Hai-Yan","An unusual porous cationic metal-organic framework based on a tetranuclear hydroxyl-copper(ii) cluster for fast and highly efficient dichromate trapping through a single-crystal to single-crystal process.","Chemical communications (Cambridge, England)","2017","53","11","1860","1863","10.1039/c6cc09676j","","","0.71073","MoKα","","0.0815","0.066","","","0.2029","0.2118","","","","","","1.061","","","","has coordinates","191488","2020-10-21","18:00:00",""
"7119436","17.7662","0.0011","34.295","0.002","16.3935","0.0011","90","","90","","90","","9988.4","1.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C78 H122 Dy2 N6 O12 -","- C77.988 H121.973 Dy2 N6 O12 -","- C311.952 H487.892 Dy8 N24 O48 -","4","1","","Dolinar, Brian S.; Gómez-Coca, Silvia; Alexandropoulos, Dimitris I.; Dunbar, Kim R.","An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics.","Chemical communications (Cambridge, England)","2017","53","14","2283","2286","10.1039/c6cc09824j","","x-ray","0.71073","MoKα","K-L~3~","0.0803","0.0545","","","0.1052","0.1133","","","","","","1.03","","","","has coordinates,has disorder","193692","2020-10-21","18:00:00",""
"7119437","18.4756","0.0006","22.8962","0.0008","25.6356","0.0009","90","","101.439","0.001","90","","10629","0.6","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100.5 H162 Co Dy2 N6 O12 -","- C100.5 H162 Co Dy2 N6 O12 -","- C402 H648 Co4 Dy8 N24 O48 -","4","1","","Dolinar, Brian S.; Gómez-Coca, Silvia; Alexandropoulos, Dimitris I.; Dunbar, Kim R.","An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics.","Chemical communications (Cambridge, England)","2017","53","14","2283","2286","10.1039/c6cc09824j","","x-ray","0.71073","MoKα","","0.0444","0.0302","","","0.0582","0.0623","","","","","","1.029","","","","has coordinates,has disorder","193692","2020-10-21","18:00:00",""
"7119438","10.9553","0.0005","11.5009","0.0007","15.3888","0.0008","95.181","0.005","103.451","0.004","101.178","0.005","1831.24","0.18","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C48 H36 O6 -","- C48 H36 O6 -","- C96 H72 O12 -","2","1","","Khadem, Mohammadreza; Zhao, Yuming","Multivalent dithiafulvenyl functionalization of dendritic oligo(phenylene vinylene)s with an anthraquinodimethane core.","Chemical communications (Cambridge, England)","2017","53","11","1821","1824","10.1039/c6cc10085f","","x-ray","1.54184","CuKα","","0.0651","0.0563","","","0.15","0.1615","","","","","","1.029","","","","has coordinates","191486","2020-10-21","18:00:00",""
"7119439","10.04588","0.00015","9.57981","0.00012","15.0463","0.0002","90","","109.001","0.0016","90","","1369.12","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Peng, Youbin; Liu, Juan; Qi, Chaorong; Yuan, Gaoqing; Li, Jiawei; Jiang, Huanfeng","nBu4NI-catalyzed oxidative cross-coupling of carbon dioxide, amines, and aryl ketones: access to O-β-oxoalkyl carbamates.","Chemical communications (Cambridge, England)","2017","53","18","2665","2668","10.1039/c6cc09762f","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0809","0.0824","","","","","","1.071","","","","has coordinates","193713","2020-10-21","18:00:00",""
"7119489","11.8823","0.0002","6.1606","0.0001","13.2198","0.0002","90","","99.151","0.001","90","","955.4","0.03","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Su, Yong-Liang; Li, Yu-Hui; Chen, Yu-Gen; Han, Zhi-Yong","Ir/PTC cooperatively catalyzed asymmetric umpolung allylation of α-imino ester enabled synthesis of α-quaternary amino acid derivatives bearing two vicinal stereocenters.","Chemical communications (Cambridge, England)","2017","53","12","1985","1988","10.1039/c6cc09654a","","","1.54178","CuKα","","0.035","0.0345","","","0.0892","0.0901","","","","","","1.065","","","","has coordinates","193725","2020-10-21","18:00:00",""
"7119490","9.6757","0.0003","24.7111","0.0007","12.3147","0.0004","90","","93.511","0.003","90","","2938.88","0.16","150","","150","","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C32 H27 Cl3 N2 O3 P S -","- C32 H27 Cl3 N2 O3 P S -","- C128 H108 Cl12 N8 O12 P4 S4 -","4","1","","Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.","Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.","Chemical communications (Cambridge, England)","2017","53","11","1872","1875","10.1039/c6cc08622e","","x-ray","0.71073","MoKα","","0.0715","0.066","","","0.1765","0.1851","","","","","","1.101","","","","has coordinates","191490","2020-10-21","18:00:00",""
"7119491","11.1094","0.0005","13.0608","0.0007","13.288","0.0007","111.68","0.005","91.034","0.004","90.043","0.004","1791.32","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","2","","Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.","Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.","Chemical communications (Cambridge, England)","2017","53","11","1872","1875","10.1039/c6cc08622e","","x-ray","0.71073","MoKα","","0.1147","0.0881","","","0.2157","0.2363","","","","","","1.064","","","","has coordinates","191490","2020-10-21","18:00:00",""
"7119492","9.8352","0.0005","12.6037","0.0006","20.8785","0.0012","90","","96.156","0.006","90","","2573.2","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Br N2 O3 P S -","- C30 H23 Br N2 O3 P S -","- C120 H92 Br4 N8 O12 P4 S4 -","4","1","","Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.","Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.","Chemical communications (Cambridge, England)","2017","53","11","1872","1875","10.1039/c6cc08622e","","x-ray","0.71073","MoKα","","0.058","0.0434","","","0.0981","0.1053","","","","","","1.028","","","","has coordinates","191490","2020-10-21","18:00:00",""
"7119493","10.2779","0.0004","8.9789","0.0003","28.8091","0.001","90","","94.652","0.004","90","","2649.87","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","17.PF6","","- C21 H27 F6 N5 O6 P Re -","- C21 H27 F6 N5 O6 P Re -","- C84 H108 F24 N20 O24 P4 Re4 -","4","1","","Chan, Chung Ying; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Rhenium(i) complexes of N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Chemical communications (Cambridge, England)","2017","53","15","2311","2314","10.1039/c6cc10066j","","","0.71073","MoKα","","0.0275","0.0249","","","0.0574","0.0585","","","","","","1.139","","","","has coordinates,has disorder","193705","2020-10-21","18:00:00",""
"7119494","8.7659","0.0003","12.9987","0.0007","16.3263","0.0011","68.155","0.006","76.597","0.004","81.414","0.004","1675.6","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","16.PF6","","- C32 H32 F6 N8 O4 P Re S -","- C32 H32 F6 N8 O4 P Re S -","- C64 H64 F12 N16 O8 P2 Re2 S2 -","2","1","","Chan, Chung Ying; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Rhenium(i) complexes of N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Chemical communications (Cambridge, England)","2017","53","15","2311","2314","10.1039/c6cc10066j","","","0.71073","MoKα","","0.0302","0.0264","","","0.0622","0.0645","","","","","","1.044","","","","has coordinates,has disorder","193705","2020-10-21","18:00:00",""
"7119495","11.3606","0.0005","12.7288","0.0004","14.7762","0.0006","108.108","0.003","103.558","0.004","100.145","0.003","1901.27","0.15","150","","150","","","","","","","","","7","P -1","-P 1","2","","15.PF6","","- C36 H41 F6 N7 O5 P Re -","- C36 H41 F6 N7 O5 P Re -","- C72 H82 F12 N14 O10 P2 Re2 -","2","1","","Chan, Chung Ying; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Rhenium(i) complexes of N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Chemical communications (Cambridge, England)","2017","53","15","2311","2314","10.1039/c6cc10066j","","","0.71073","MoKα","","0.0273","0.0238","","","0.0527","0.0546","","","","","","1.037","","","","has coordinates,has disorder","193705","2020-10-21","18:00:00",""
"7119496","5.57982","0.00008","4.79015","0.00007","15.1644","0.0002","90","","94.0417","0.0008","90","","404.309","0.01","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0472","0.0379","","","0.0966","0.1027","","","","","","1.05","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119497","19.405","0.0006","13.4239","0.0004","19.5853","0.0006","90","","94.268","0.002","90","","5087.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 Cu4 N17 O -","- C48 H68 Cu4 N17 O -","- C192 H272 Cu16 N68 O4 -","4","1","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.1004","0.0787","","","0.1586","0.1693","","","","","","1.092","","","","has coordinates,has disorder","190613","2020-10-21","18:00:00",""
"7119498","16.6684","0.0003","5.4357","0.0001","14.3613","0.0003","90","","98.362","0.001","90","","1287.36","0.04","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C48 H80 N8 O8 -","4","0.5","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0666","0.0557","","","0.1681","0.1821","","","","","","1.059","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119499","11.0383","0.0002","19.3794","0.0005","25.1577","0.0006","90","","90","","90","","5381.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 Cu4 N15 O8 -","- C41 H43 Cu4 N15 O8 -","- C164 H172 Cu16 N60 O32 -","4","1","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0578","0.053","","","0.1585","0.1641","","","","","","1.15","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119500","19.1439","0.0007","9.6535","0.0003","30.1293","0.001","90","","107.678","0.002","90","","5305.1","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","PySi","","","- C29 H37 N O4 Si -","- C29 H37 N O4 Si -","- C232 H296 N8 O32 Si8 -","8","4","","El Idrissi, Mohamed; Teat, Simon J.; Corvini, Philippe F.-X.; Paterson, Martin J.; Dalgarno, Scott J.; Shahgaldian, Patrick","Template-free hierarchical self-assembly of a pyrene derivative into supramolecular nanorods.","Chemical communications (Cambridge, England)","2017","53","12","1973","1976","10.1039/c6cc09731f","","","0.7749","Synchrotron","","0.1186","0.0975","","","0.259","0.2765","","","","","","1.034","","","","has coordinates,has disorder","193720","2020-10-21","18:00:00",""
"7119501","19.9364","0.0018","11.5274","0.001","22.498","0.002","90","","104.908","0.0013","90","","4996.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C83 H29 Cl2 N2.36 O4.5 -","- C83 H29 Cl2 N2.36 O4.5 -","- C332 H116 Cl8 N9.44 O18 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Unprecedented photochemical rearrangement of an open-cage C60 derivative.","Chemical communications (Cambridge, England)","2017","53","10","1712","1714","10.1039/c6cc10103h","","","0.71073","MoKα","","0.1018","0.0725","","","0.1712","0.1886","","","","","","1.148","","","","has coordinates,has disorder","191460","2020-10-21","18:00:00",""
"7119502","9.2808","0.0003","13.3894","0.0005","23.6283","0.0009","90","","90","","90","","2936.16","0.18","190","2","190","2","","","","","","","","4","P b c 21","P 2c -2b","29","","4-methoxy-6-oxo-5,8,9,10,11,11a-hexahydro-6H- pyrido[1,2-c]quinazolin-10-yl acetate","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Sawant, Rajiv T.; Stevens, Marc Y.; Odell, Luke R.","Acetic acid-promoted cascade N-acyliminium ion/aza-Prins cyclization: stereoselective synthesis of functionalized fused tricyclic piperidines.","Chemical communications (Cambridge, England)","2017","53","13","2110","2113","10.1039/c6cc09805c","","","0.71073","MoKα","","0.2445","0.1194","","","0.2486","0.3197","","","","","","1.016","","","","has coordinates","193690","2020-10-21","18:00:00",""
"7119503","9","0.0004","14.0771","0.0007","15.5933","0.0008","90","","90.682","0.003","90","","1975.44","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 O0 -","- C24 H30 N4 -","- C96 H120 N16 -","4","1","","Kumar, Nivesh; Das, Mrinal Kanti; Ghosh, Santanu; Bisai, Alakesh","Development of catalytic deacylative alkylations (DaA) of 3-acyl-2-oxindoles: total synthesis of meso-chimonanthine and related alkaloids.","Chemical communications (Cambridge, England)","2017","53","13","2170","2173","10.1039/c6cc10228j","","","0.71073","MoKα","","0.0999","0.0595","","","0.1563","0.1832","","","","","","1.09","","","","has coordinates","193689","2020-10-21","18:00:00",""
"7119504","10.9319","0.0002","12.8579","0.0002","15.7558","0.0003","90","","110.243","0.001","90","","2077.86","0.07","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Al2 Li2 N4 O2 -","- C44 H52 Al2 Li2 N4 O2 -","- C88 H104 Al4 Li4 N8 O4 -","2","0.5","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0734","0.0584","","","0.1517","0.1618","","","","","","1.074","","","","has coordinates","190756","2020-10-21","18:00:00",""
"7119505","10.0524","0.0003","10.2219","0.0003","18.3853","0.0005","87.4066","0.0015","86.1584","0.0014","84.2038","0.0015","1873.88","0.09","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Al2 Li2 N4 O2 -","- C36 H52 Al2 Li2 N4 O2 -","- C72 H104 Al4 Li4 N8 O4 -","2","2","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0826","0.0575","","","0.1292","0.1412","","","","","","1.027","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119506","9.9938","0.0003","10.2452","0.0003","19.3556","0.0006","75.1082","0.0013","77.7169","0.0013","84.5937","0.0013","1869.74","0.1","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Al2 Li2 N4 O2 -","- C36 H52 Al2 Li2 N4 O2 -","- C72 H104 Al4 Li4 N8 O4 -","2","2","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0488","0.0445","","","0.1151","0.1191","","","","","","1.024","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119507","9.7021","0.0002","22.8975","0.0005","22.1511","0.0005","90","","95.061","0.001","90","","4901.77","0.18","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Al2 Li2 N4 O2 -","- C50 H68 Al2 Li2 N4 O2 -","- C200 H272 Al8 Li8 N16 O8 -","4","1","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0957","0.0727","","","0.18","0.1951","","","","","","1.04","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119508","10.1776","0.0003","11.8188","0.0003","17.604","0.0004","101.361","0.001","103.47","0.001","104.633","0.001","1917.43","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Al2 Li2 N4 O2 -","- C37 H48 Al2 Li2 N4 O2 -","- C74 H96 Al4 Li4 N8 O4 -","2","1","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0442","0.0378","","","0.0979","0.1025","","","","","","1.041","","","","has coordinates","190756","2020-10-21","18:00:00",""
"7119509","9.856","0.004","10.755","0.005","12.812","0.006","101.231","0.017","95.114","0.015","109.65","0.015","1236.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N2 O3 S -","- C25 H23 F3 N2 O3 S -","- C50 H46 F6 N4 O6 S2 -","2","1","","Zhang, Xue; Wang, Xin; Gao, Yuelei; Xu, Xianxiu","Silver-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides: a facile stereoselective synthesis of CF3-substituted heterocycles.","Chemical communications (Cambridge, England)","2017","53","16","2427","2430","10.1039/c6cc10124k","","","0.71073","MoKα","","0.0846","0.0583","","","0.1609","0.1883","","","","","","1.082","","","","has coordinates","193683","2020-10-21","18:00:00",""
"7119510","11.299","0.006","10.333","0.005","13.186","0.008","90","","103.62","0.03","90","","1496.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Zhang, Xue; Wang, Xin; Gao, Yuelei; Xu, Xianxiu","Silver-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides: a facile stereoselective synthesis of CF3-substituted heterocycles.","Chemical communications (Cambridge, England)","2017","53","16","2427","2430","10.1039/c6cc10124k","","","0.71073","MoKα","","0.1063","0.0657","","","0.1524","0.1859","","","","","","1.051","","","","has coordinates","193683","2020-10-21","18:00:00",""
"7119511","16.876","0.002","6.7764","0.0008","10.1613","0.0013","90","","93.36","0.007","90","","1160","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge2 Hg Li4 S7 -","- Ge2 Hg Li4 S7 -","- Ge8 Hg4 Li16 S28 -","4","1","","Wu, Kui; Yang, Zhihua; Pan, Shilie","The first quaternary diamond-like semiconductor with 10-membered LiS4 rings exhibiting excellent nonlinear optical performances.","Chemical communications (Cambridge, England)","2017","53","21","3010","3013","10.1039/c6cc09565h","","","0.71073","MoKα","","0.0204","0.0191","","","0.0386","0.039","","","","","","0.876","","","","has coordinates","194986","2020-10-21","18:00:00",""
"7119512","12.181","0.003","4.9624","0.0011","48.446","0.013","90","","91.245","0.009","90","","2927.7","1.2","173","","173","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C18 H13 Cl O3 -","- C18 H13 Cl O3 -","- C144 H104 Cl8 O24 -","8","2","","Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.","Chemical communications (Cambridge, England)","2017","53","17","2555","2558","10.1039/c6cc10178j","","","1.54187","CuKα","","0.0769","0.0505","","","0.1142","0.1262","","","","","","0.955","","","","has coordinates","193670","2020-10-21","18:00:00",""
"7119513","8.7005","0.0016","8.8005","0.0016","18.865","0.003","90","","90","","90","","1444.5","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.","Chemical communications (Cambridge, England)","2017","53","17","2555","2558","10.1039/c6cc10178j","","","1.54187","CuKα","","0.0585","0.0502","","","0.1232","0.1296","","","","","","1.02","","","","has coordinates","193670","2020-10-21","18:00:00",""
"7119514","13.981","0.002","9.6424","0.0017","20.807","0.004","90","","90.981","0.004","90","","2804.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N5 -","- C37 H25 N5 -","- C148 H100 N20 -","4","1","","Liu, Jiangping; Jin, Chengzhi; Yuan, Bo; Liu, Xingguo; Chen, Yu; Ji, Liangnian; Chao, Hui","Selectively lighting up two-photon photodynamic activity in mitochondria with AIE-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","12","2052","2055","10.1039/c6cc10015e","","","0.71073","MoKα","","0.0789","0.0477","","","0.1293","0.1625","","","","","","1.017","","","","has coordinates","193721","2020-10-21","18:00:00",""
"7119515","20.8286","0.0009","18.639","0.0006","17.8263","0.0006","90","","91.188","0.004","90","","6919.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H37 Cl F4 Ir N7 -","- C59 H37 Cl F4 Ir N7 -","- C236 H148 Cl4 F16 Ir4 N28 -","4","1","","Liu, Jiangping; Jin, Chengzhi; Yuan, Bo; Liu, Xingguo; Chen, Yu; Ji, Liangnian; Chao, Hui","Selectively lighting up two-photon photodynamic activity in mitochondria with AIE-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","12","2052","2055","10.1039/c6cc10015e","","","1.54184","CuKα","","0.109","0.0745","","","0.2021","0.2291","","","","","","1.054","","","","has coordinates,has disorder","193721","2020-10-21","18:00:00",""
"7119516","10.41","0.0014","12.0649","0.0015","11.7077","0.0014","90","","98.209","0.004","90","","1455.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl N O -","- C19 H12 Cl N O -","- C76 H48 Cl4 N4 O4 -","4","1","","Hu, Zhongyan; Dong, Jinhuan; Men, Yang; Li, Yifei; Xu, Xianxiu","Organocatalyzed aerobic oxidative Robinson-type annulation of 2-isocyanochalcones: expedient synthesis of phenanthridines.","Chemical communications (Cambridge, England)","2017","53","10","1739","1742","10.1039/c6cc09430a","","","0.71073","MoKα","","0.1131","0.087","","","0.2403","0.2767","","","","","","1.061","","","","has coordinates","191466","2020-10-21","18:00:00",""
"7119517","9.8097","0.0003","19.8264","0.0004","9.5259","0.0003","90","","95.136","0.002","90","","1845.26","0.09","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 S -","- C18 H23 N3 O3 S -","- C72 H92 N12 O12 S4 -","4","1","","Mercalli, Valentina; Nyadanu, Aude; Cordier, Marie; Tron, Gian Cesare; Grimaud, Laurence; El Kaim, Laurent","N-N bond formation in Ugi processes: from nitric acid to libraries of nitramines.","Chemical communications (Cambridge, England)","2017","53","13","2118","2121","10.1039/c6cc10288c","","","0.71069","MoKα","","0.0578","0.0434","","","0.1175","0.1288","","","","","","1.02","","","","has coordinates","193691","2020-10-21","18:00:00",""
"7119518","13.4643","0.0007","16.5903","0.0011","21.0115","0.0014","107.438","0.006","92.843","0.005","108.583","0.005","4189.3","0.5","98","5","98","5","","","","","","","","6","P -1","-P 1","2","","","","- C68 H102 Mo3 N8 O14 V4 -","- C67.9 H102 Mo3 N8 O14 V4 -","- C135.8 H204 Mo6 N16 O28 V8 -","2","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","","0.71073","MoKα","","0.0584","0.0424","","","0.0975","0.1011","","","","","","1.026","","","","has coordinates,has disorder","193672","2020-10-21","18:00:00",""
"7119519","29.2304","0.0018","18.5275","0.001","27.1217","0.0013","90","","113.089","0.007","90","","13511.6","1.5","102.8","","102.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Mo5V1","","- C48 H107 Mo5 N3 O19 V -","- C48 H107 Mo4.882 N3 O19 V1.118 -","- C384 H856 Mo39.056 N24 O152 V8.944 -","8","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","","0.71073","MoKα","","0.1266","0.0692","","","0.1556","0.1933","","","","","","1.032","","","","has coordinates,has disorder","193672","2020-10-21","18:00:00",""
"7119520","12.4632","0.0004","14.0872","0.0004","26.255","0.0008","104.468","0.002","96.532","0.002","104.992","0.003","4232.4","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H92 Mo3 N12 O15 V4 -","- C74 H92 Mo3 N12 O15 V4 -","- C148 H184 Mo6 N24 O30 V8 -","2","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","","1.54184","CuKα","","0.129","0.0918","","","0.2376","0.2609","","","","","","1.048","","","","has coordinates","193672","2020-10-21","18:00:00",""
"7119521","12.561","0.0003","14.4766","0.0004","25.931","0.0006","103.598","0.002","96.5613","0.0017","105.634","0.002","4333.4","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H104 Mo3 N14 O16 V4 -","- C80 H104 Mo3 N14 O16 V4 -","- C160 H208 Mo6 N28 O32 V8 -","2","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","x-ray","1.54184","CuKα","","0.0435","0.0398","","","0.1046","0.1084","","","","","","1.05","","","","has coordinates,has disorder","193672","2020-10-21","18:00:00",""
"7119522","4.5946","0.0006","24.212","0.003","5.7315","0.0008","90","","106.629","0.004","90","","610.93","0.14","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.","Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.","Chemical communications (Cambridge, England)","2017","53","12","2024","2027","10.1039/c6cc09126a","","","0.71073","MoKα","","0.091","0.0586","","","0.1119","0.1218","","","","","","1.023","","","","has coordinates","193722","2020-10-21","18:00:00",""
"7119523","12.4837","0.0007","23.7851","0.0013","8.6713","0.0005","90","","90","","90","","2574.7","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H26 Cl2 N6 O2 Zn -","- C26 H26 Cl2 N6 O2 Zn -","- C104 H104 Cl8 N24 O8 Zn4 -","4","0.5","","Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.","Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.","Chemical communications (Cambridge, England)","2017","53","12","2024","2027","10.1039/c6cc09126a","","","0.71073","MoKα","","0.0707","0.0401","","","0.084","0.0931","","","","","","1.057","","","","has coordinates","193722","2020-10-21","18:00:00",""
"7119526","9.7951","0.0002","15.626","0.0003","13.7061","0.0003","90","","110.495","0.0013","90","","1965.04","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-((1-fluoro-2-(naphthalen-2-yl)vinyl)diphenylphosphine borane","","- C24 H21 B F P -","- C24 H21 B F P -","- C96 H84 B4 F4 P4 -","4","1","","Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami","Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.","Chemical communications (Cambridge, England)","2017","53","12","2048","2051","10.1039/c6cc09673e","","","0.71073","MoKα","","0.0634","0.0451","","","0.1039","0.1146","","","","","","0.935","","","","has coordinates","193726","2020-10-21","18:00:00",""
"7119527","8.8929","0.0002","9.3285","0.0002","12.026","0.0003","68.322","0.001","83.017","0.001","80.732","0.001","912.89","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(E)-((2-(4-chlorophenyl)-1 fluorovinyl)diphenyl phosphine borane","","- C20 H18 B Cl F P -","- C20 H18 B Cl F P -","- C40 H36 B2 Cl2 F2 P2 -","2","1","","Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami","Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.","Chemical communications (Cambridge, England)","2017","53","12","2048","2051","10.1039/c6cc09673e","","","0.71073","MoKα","","0.0389","0.0343","","","0.097","0.1011","","","","","","1.048","","","","has coordinates","193726","2020-10-21","18:00:00",""
"7119528","11.872","0.0004","12.1211","0.0004","13.7228","0.0005","90","","112.155","0.0013","90","","1828.93","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(E)-((2-(3-chlorophenyl)-1 fluorovinyl)diphenyl phosphine borane","","- C20 H18 B Cl F P -","- C20 H18 B Cl F P -","- C80 H72 B4 Cl4 F4 P4 -","4","1","","Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami","Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.","Chemical communications (Cambridge, England)","2017","53","12","2048","2051","10.1039/c6cc09673e","","","0.71073","MoKα","","0.0451","0.039","","","0.1014","0.1059","","","","","","1.078","","","","has coordinates","193726","2020-10-21","18:00:00",""
"7119529","26.3419","0.0012","10.5684","0.0005","19.9298","0.0009","90","","131.599","0.001","90","","4149.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F3 N2 O5.5 -","- C22 H16 F3 N2 O5.5 -","- C176 H128 F24 N16 O44 -","8","1","","Ling, Peng-Xiang; Chen, Kai; Shi, Bing-Feng","Palladium-catalyzed interannular meta-C-H arylation.","Chemical communications (Cambridge, England)","2017","53","13","2166","2169","10.1039/c7cc00110j","","","0.71073","MoKα","","0.1042","0.05","","","0.1269","0.1755","","","","","","1.001","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119530","14.6512","0.0011","20.1004","0.0015","17.7586","0.0013","90","","92.884","0.007","90","","5223.2","0.7","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 F6 N6 O2 Pd2 -","- C44 H40 F6 N6 O2 Pd2 -","- C176 H160 F24 N24 O8 Pd8 -","4","0.5","","Ling, Peng-Xiang; Chen, Kai; Shi, Bing-Feng","Palladium-catalyzed interannular meta-C-H arylation.","Chemical communications (Cambridge, England)","2017","53","13","2166","2169","10.1039/c7cc00110j","","","0.71073","MoKα","","0.1159","0.0954","","","0.2537","0.2782","","","","","","1.036","","","","has coordinates","193687","2020-10-21","18:00:00",""
"7119531","15.804","0.003","10.785","0.002","8.1924","0.0016","90","","99.1","0.03","90","","1378.8","0.5","153.15","","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-MTPNE","","- C6 H9 N17 -","- C6 H9 N17 -","- C24 H36 N68 -","4","1","","Wang, Qi; Pang, Fuqing; Wang, Guilong; Huang, Jinglun; Nie, Fude; Chen, Fu-Xue","Pentazadiene: a high-nitrogen linkage in energetic materials.","Chemical communications (Cambridge, England)","2017","53","15","2327","2330","10.1039/c6cc08179g","","","0.71073","MoKα","","0.1853","0.1663","","","0.4342","0.4465","","","","","","1.205","","","","has coordinates","193702","2020-10-21","18:00:00",""
"7119532","8.9736","0.0014","9.2504","0.0014","12.5314","0.0019","75.006","0.003","74.557","0.002","68.346","0.002","916.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C40 H48 N4 O6 -","2","1","","Santhini, P. V.; Nimisha, G.; John, Jubi; Suresh, E.; Varma, R. Luxmi; Radhakrishnan, K. V.","Pd-Catalyzed oxidative annulation of enamides with diazabicyclic olefins: rapid access to cyclopentene fused 2-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","11","1848","1851","10.1039/c6cc08753a","","","0.71073","MoKα","","0.0856","0.0702","","","0.1483","0.1546","","","","","","1.149","","","","has coordinates","191489","2020-10-21","18:00:00",""
"7119533","9.1842","0.0003","19.7301","0.0008","15.4288","0.0006","90","","98.875","0.002","90","","2762.31","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N3 O5 -","- C25 H35 N3 O5 -","- C100 H140 N12 O20 -","4","1","","Santhini, P. V.; Nimisha, G.; John, Jubi; Suresh, E.; Varma, R. Luxmi; Radhakrishnan, K. V.","Pd-Catalyzed oxidative annulation of enamides with diazabicyclic olefins: rapid access to cyclopentene fused 2-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","11","1848","1851","10.1039/c6cc08753a","","","0.71073","MoKα","","0.0801","0.0552","","","0.1359","0.1598","","","","","","1.065","","","","has coordinates","191489","2020-10-21","18:00:00",""
"7119534","5.08431","0.00014","8.6121","0.00017","9.6766","0.0002","74.5011","0.0019","76.1455","0.0018","74.488","0.003","386.933","0.017","","","","","","","","","","","","3","P -1","-P 1","2","","","","- O9 P2 Ti2 -","- O4.5 P Ti -","- O18 P4 Ti4 -","4","2","","García-Glez, Jorge; Amghouz, Zakariae; da Silva, Iván; Ania, Conchi O.; Parra, José B; Trobajo, Camino; García-Granda, Santiago","The ability of a fibrous titanium oxophosphate for nitrogen-adsorption above room temperature.","Chemical communications (Cambridge, England)","2017","53","14","2249","2251","10.1039/c6cc07518e","powder diffraction","","1.5406","Cuα~1~","","2.64843","","","","","","","","2.31597","","","","","","","has coordinates","193697","2020-10-21","18:00:00",""
"7119535","18.0767","0.001","10.7938","0.0006","8.1475","0.0005","90","","91.976","0.001","90","","1588.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Wang, Li-Jing; Chen, Manman; Qi, Lin; Xu, Zhidong; Li, Wei","Copper-mediated oxysulfonylation of alkenyl oximes with sodium sulfinates: a facile synthesis of isoxazolines featuring a sulfone substituent.","Chemical communications (Cambridge, England)","2017","53","12","2056","2059","10.1039/c7cc00090a","","","0.71073","MoKα","","0.0684","0.0423","","","0.1072","0.1211","","","","","","1.025","","","","has coordinates","193727","2020-10-21","18:00:00",""
"7119536","17.92851","0.00019","18.50308","0.00019","24.9906","0.0002","93.4898","0.0008","107.038","0.0009","108.177","0.0009","7424.19","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C154.9 H130.62 B2 F40 N7 O Re -","- C154.898 H130.624 B2 F40 N7 O Re -","- C309.796 H261.248 B4 F80 N14 O2 Re2 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","meso-N-Methylation of a porphyrinoid complex: activating the H-atom transfer capability of an inert Re(V)(O) corrolazine.","Chemical communications (Cambridge, England)","2017","53","12","1961","1964","10.1039/c6cc09341h","","","1.54178","CuKα","","0.0394","0.0356","","","0.0938","0.0984","","","","","","1.04","","","","has coordinates,has disorder","193723","2020-10-21","18:00:00",""
"7119537","36.595","0.007","37.093","0.007","52.527","0.011","90","0.03","107.21","0.03","90","0.03","68109","3","298","","298","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","triple decker porphyrin","","","- C273.9 H317.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4 -","- C273.9 H309.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4 -","- C2191.2 H2475.2 Au8 Cl233.6 Cu16 N192 O508 P32 S32 -","8","2","","Mihara, Nozomi; Yamada, Yasuyuki; Akine, Shigehisa; Sugimoto, Kunihisa; Tanaka, Kentaro","Electronic perturbation of supramolecular conjugates of porphyrins and phthalocyanines.","Chemical communications (Cambridge, England)","2017","53","14","2230","2232","10.1039/c6cc09590a","","","0.6999","","","0.1493","0.1068","","","0.26","0.278","","","","","","1.834","","","","has coordinates,has disorder","193696","2020-10-21","18:00:00",""
"7119538","4.8916","0.001","16.862","0.003","10.63","0.002","90","","95.71","0.03","90","","872.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","Bai, Binglian; Zhang, Mingang; Ji, Nan; Wei, Jue; Wang, Haitao; Li, Min","E-Z isomerization of the -C[double bond, length as m-dash]N- bond in anthracene-based acylhydrazone derivatives under visible light.","Chemical communications (Cambridge, England)","2017","53","18","2693","2696","10.1039/c6cc08403f","","","0.71073","MoKα","","0.0546","0.0396","","","0.0898","0.0945","","","","","","1.032","","","","has coordinates","193714","2020-10-21","18:00:00",""
"7119539","15.4686","0.0019","17.485","0.002","19.258","0.002","72.157","0.004","88.111","0.005","73.892","0.005","4755.8","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H150 O16 Os8 S16 -","- C93.5 O8 Os4 S8 -","- C187 O16 Os8 S16 -","2","1","","Tso, Ken Chi-Hang; Chan, Sharon Lai-Fung; Huang, Jie-Sheng; Che, Chi-Ming","Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of ruthenium-thiolate wheels.","Chemical communications (Cambridge, England)","2017","53","16","2419","2422","10.1039/c6cc09903c","","","1.54178","CuKα","","0.0547","0.0483","","","0.1318","0.1397","","","","","","1.001","","","","has coordinates","193680","2020-10-21","18:00:00",""
"7119540","15.7927","0.0007","18.7549","0.0008","19.7968","0.0009","100.823","0.002","99.39","0.002","92.923","0.002","5662","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C182 H214 Ag Cl19 O18 Ru8 S16 -","- C182 H214 Ag Cl19 O18 Ru8 S16 -","- C182 H214 Ag Cl19 O18 Ru8 S16 -","1","0.5","","Tso, Ken Chi-Hang; Chan, Sharon Lai-Fung; Huang, Jie-Sheng; Che, Chi-Ming","Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of ruthenium-thiolate wheels.","Chemical communications (Cambridge, England)","2017","53","16","2419","2422","10.1039/c6cc09903c","","","1.54178","CuKα","","0.1527","0.139","","","0.3581","0.3798","","","","","","1.788","","","","has coordinates,has disorder","193680","2020-10-21","18:00:00",""
"7119541","26.825","0.0013","14.8903","0.0007","22.4731","0.0011","90","","115.102","0.002","90","","8128.7","0.7","293","2","293.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Ag2 B F8 N4 O6 S2 -","- C31 H25 Ag2 B F8 N4 O6 S2 -","- C248 H200 Ag16 B8 F64 N32 O48 S16 -","8","1","","Pinto, Miguel N.; Chakraborty, Indranil; Schultz-Simonton, Wiley; Rojas-Andrade, Mauricio; Braslau, Rebecca; Mascharak, Pradip K.","Tracking silver delivery to bacteria using turn-on fluorescence.","Chemical communications (Cambridge, England)","2017","53","9","1459","1462","10.1039/c6cc07463d","","","0.71073","synchrotron","","0.0868","0.0742","","","0.2462","0.2626","","","","","","1.137","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7119542","20.2206","0.0011","9.2842","0.0005","8.5994","0.0005","90","","90","","90","","1614.38","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 B F4 N -","- C18 H16 B F4 N -","- C72 H64 B4 F16 N4 -","4","1","","Upadhyay, Nitinkumar Satyadev; Jayakumar, Jayachandran; Cheng, Chien-Hong","Facile one-pot synthesis of 2,3-dihydro-1H-indolizinium derivatives by rhodium(iii)-catalyzed intramolecular oxidative annulation via C-H activation: application to ficuseptine synthesis.","Chemical communications (Cambridge, England)","2017","53","16","2491","2494","10.1039/c7cc00008a","","","0.71073","MoKα","","0.0769","0.0511","","","0.1324","0.1486","","","","","","1.037","","","","has coordinates,has disorder","193685","2020-10-21","18:00:00",""
"7119543","9.1646","0.0003","12.5454","0.0005","17.8461","0.0003","87.399","0.002","77.495","0.002","75.6","0.003","1940.14","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 O2 P2 Sn W -","- C36 H66 O2 P2 Sn W -","- C72 H132 O4 P4 Sn2 W2 -","2","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","","1.54184","CuKα","","0.0347","0.0322","","0.0838","0.0808","0.0838","","","","","","1.0077","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119544","10.5933","0.0003","15.6299","0.0005","24.1696","0.0006","90","","99.63","0.003","90","","3945.4","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 O2 P2 Se W -","- C39 H62 O2 P2 Se W -","- C156 H248 O8 P8 Se4 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0608","0.0473","","","0.1105","0.1163","","","","","","1.088","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119545","10.62715","0.00011","15.6401","0.0002","24.3392","0.0003","90","","100.16","0.0011","90","","3981.97","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 O2 P2 Te W -","- C39 H62 O2 P2 Te W -","- C156 H248 O8 P8 Te4 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0391","0.0356","","","0.0936","0.0975","","","","","","1.042","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119546","10.90249","0.00014","14.2449","0.00018","22.5025","0.0003","90","","97.8393","0.0013","90","","3462.09","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 Cl O2 P2 W -","- C33 H57 Cl O2 P2 W -","- C132 H228 Cl4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1495","0.1507","","","","","","1.159","","","","has coordinates,has disorder","194990","2020-10-21","18:00:00",""
"7119547","10.8206","0.0005","14.492","0.0005","22.3551","0.0009","90","","96.561","0.004","90","","3482.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 Br O2 P2 W -","- C33 H56.028 Br O2 P2 W -","- C132 H224.112 Br4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","0.71073","MoKα","","0.0747","0.0411","","","0.0896","0.1101","","","","","","1.049","","","","has coordinates,has disorder","194990","2020-10-21","18:00:00",""
"7119548","21.70419","0.0002","20.77394","0.00016","18.14956","0.00016","90","","106.336","0.001","90","","7852.92","0.12","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 O2 P2 S W -","- C39 H62 O2 P2 S W -","- C312 H496 O16 P16 S8 W8 -","8","2","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0582","0.0478","","","0.1023","0.1094","","","","","","1.05","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119549","8.5607","0.0002","14","0.0003","14.277","0.0002","90","","106.91","0.001","90","","1637.11","0.06","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 I N3 O4 -","- C13 H22 I N3 O4 -","- C52 H88 I4 N12 O16 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.0166","0.0154","","","0.0337","0.0342","","","","","","1.11","","","","has coordinates","193693","2020-10-21","18:00:00",""
"7119550","4.685","0.0003","9.3425","0.0008","17.35","0.0014","90.082","0.005","90.335","0.0007","104.252","0.003","736.01","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C26 H46 N6 O8 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.1093","0.0936","","","0.2438","0.2528","","","","","","1.14","","","","has coordinates","193693","2020-10-21","18:00:00",""
"7119551","9.6377","0.0008","13.88","0.0009","10.0595","0.0008","90","","117.921","0.003","90","","1189.03","0.16","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H23 F12 N3 Na2 O4 P2 -","- C13 H23 F12 N3 Na2 O4 P2 -","- C26 H46 F24 N6 Na4 O8 P4 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.1086","0.0966","","","0.266","0.2759","","","","","","1.052","","","","has coordinates,has disorder","193693","2020-10-21","18:00:00",""
"7119552","19.2642","0.0003","15.3487","0.0003","25.2243","0.0004","90","","110.456","0.001","90","","6988","0.2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H84 B2 I2 N6 Na2 O8 -","- C74 H84 B2 I2 N6 Na2 O8 -","- C296 H336 B8 I8 N24 Na8 O32 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.0303","0.026","","","0.0528","0.0547","","","","","","1.088","","","","has coordinates","193693","2020-10-21","18:00:00",""
"7119553","11.5912","0.0002","15.1724","0.0003","14.1141","0.0003","90","","90.364","0.001","90","","2482.14","0.08","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 I3 N3 Na2 O7 -","- C13 H28 I3 N3 Na2 O7 -","- C52 H112 I12 N12 Na8 O28 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.0276","0.0254","","","0.06","0.0611","","","","","","1.171","","","","has coordinates,has disorder","291143","2024-04-09","08:48:44",""
"7119554","13.873","0.002","17.388","0.003","22.812","0.004","90","","91.73","0.02","90","","5500.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H86 Al2 Cl3 N3 -","- C55 H86 Al2 Cl3 N3 -","- C220 H344 Al8 Cl12 N12 -","4","1","","Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.","An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.","Chemical communications (Cambridge, England)","2017","53","17","2543","2546","10.1039/c7cc00325k","","","0.71073","MoKα","","0.0773","0.0696","","","0.1545","0.1572","","","","","","1.238","","","","has coordinates,has disorder","193669","2020-10-21","18:00:00",""
"7119555","10.457","0.002","19.397","0.002","29.51","0.003","90","","97.95","0.02","90","","5928.1","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H84 Al2 I3 N3 -","- C59.5 H84 Al2 I3 N3 -","- C238 H336 Al8 I12 N12 -","4","1","","Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.","An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.","Chemical communications (Cambridge, England)","2017","53","17","2543","2546","10.1039/c7cc00325k","","","0.71073","MoKα","","0.0353","0.0285","","","0.0648","0.0685","","","","","","1.073","","","","has coordinates,has disorder","193669","2020-10-21","18:00:00",""
"7119556","9.092","0.002","17.918","0.003","15.271","0.002","90","","94.99","0.02","90","","2478.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Al I3 N -","- C20 H31 Al I3 N -","- C80 H124 Al4 I12 N4 -","4","1","","Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.","An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.","Chemical communications (Cambridge, England)","2017","53","17","2543","2546","10.1039/c7cc00325k","","","0.56086","AgKα","","0.0208","0.0157","","","0.0295","0.031","","","","","","1.042","","","","has coordinates","193669","2020-10-21","18:00:00",""
"7119557","14.82","0.003","16.5","0.003","18.544","0.004","111.009","0.006","91.666","0.006","95.996","0.005","4199.1","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 Cl2 Fe N18 O26 -","- C78 H60 Cl2 Fe N18 O26 -","- C156 H120 Cl4 Fe2 N36 O52 -","2","1","","Naskar, Sourenjit; Dalal, Chumki; Ghosh, Pradyut","Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate.","Chemical communications (Cambridge, England)","2017","53","16","2487","2490","10.1039/c7cc00262a","","","0.71073","MoKα","","0.1107","0.0624","","","0.16","0.1825","","","","","","0.959","","","","has coordinates","193684","2020-10-21","18:00:00",""
"7119558","13.392","0.002","25.49","0.004","23.092","0.004","90","","101.131","0.004","90","","7734","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 Cl2 Fe N18 O22 -","- C78 H60 Cl2 Fe N18 O22 -","- C312 H240 Cl8 Fe4 N72 O88 -","4","1","","Naskar, Sourenjit; Dalal, Chumki; Ghosh, Pradyut","Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate.","Chemical communications (Cambridge, England)","2017","53","16","2487","2490","10.1039/c7cc00262a","","","0.71073","MoKα","","0.1087","0.0564","","","0.1399","0.1741","","","","","","0.977","","","","has coordinates","193684","2020-10-21","18:00:00",""
"7119559","4.5331","0.0017","17.68","0.007","20.869","0.008","80.469","0.008","86.916","0.009","86.498","0.009","1644.8","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N6 O10 S2 -","- C30 H32 N6 O10 S2 -","- C60 H64 N12 O20 S4 -","2","1","","Naskar, Sourenjit; Dalal, Chumki; Ghosh, Pradyut","Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate.","Chemical communications (Cambridge, England)","2017","53","16","2487","2490","10.1039/c7cc00262a","","","0.71073","MoKα","","0.1721","0.0802","","","0.2406","0.3186","","","","","","1.026","","","","has coordinates","193684","2020-10-21","18:00:00",""
"7119560","12.917","0.003","23.857","0.004","10.1194","0.0018","90","","92.282","0.013","90","","3115.9","1.1","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","10-(4-(fluoro(methyl)diphenyl-l5-stibaneyl)phenyl)-1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine","","- C35 H41 B F N2 O Sb -","- C35 H41 B F N2 O Sb -","- C140 H164 B4 F4 N8 O4 Sb4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.","Chemical communications (Cambridge, England)","2017","53","16","2471","2474","10.1039/c6cc09205e","","","0.71073","MoKα","","0.1327","0.0587","","","0.1153","0.1492","","","","","","0.993","","","","has coordinates","193686","2020-10-21","18:00:00",""
"7119561","50.4025","0.0018","11.0109","0.0004","10.1952","0.0004","90","","97.294","0.001","90","","5612.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-(4-(diphenylstibaneyl)phenyl)-1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine","","- C33 H34 B N2 Sb -","- C33 H34 B N2 Sb -","- C264 H272 B8 N16 Sb8 -","8","1","","Christianson, Anna M.; Gabbaï, François P","Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.","Chemical communications (Cambridge, England)","2017","53","16","2471","2474","10.1039/c6cc09205e","","","0.71073","MoKα","","0.0967","0.0578","","","0.1202","0.1401","","","","","","1.059","","","","has coordinates","193686","2020-10-21","18:00:00",""
"7119562","13.6694","0.0006","24.9626","0.0012","10.0894","0.0005","90","","94.504","0.002","90","","3432.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(4-(1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)phenyl)(methyl)diphenylantimony(V)]trifluoromethanesulfonate","","- C35 H37 B F3 N2 O3 S Sb -","- C35 H37 B F3 N2 O3 S Sb -","- C140 H148 B4 F12 N8 O12 S4 Sb4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.","Chemical communications (Cambridge, England)","2017","53","16","2471","2474","10.1039/c6cc09205e","","","0.71073","MoKα","","0.0577","0.0439","","","0.0901","0.096","","","","","","1.118","","","","has coordinates","193686","2020-10-21","18:00:00",""
"7119563","8.41924","0.00008","18.7237","0.0002","24.1937","0.0002","90","","97.6709","0.0009","90","","3779.75","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Cl Ir O2 P2 -","- C46 H38 Cl Ir O2 P2 -","- C184 H152 Cl4 Ir4 O8 P8 -","4","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","1.54184","CuKα","","0.0329","0.0301","","","0.0748","0.0766","","","","","","1.059","","","","has coordinates","193688","2020-10-21","18:00:00",""
"7119564","13.2902","0.0002","16.0229","0.0003","16.6282","0.0003","88.68","0.0014","89.2622","0.0014","78.5165","0.0014","3469.01","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H49 B F24 Ir O2.5 P2 -","- C74 H49 B F24 Ir O2.5 P2 -","- C148 H98 B2 F48 Ir2 O5 P4 -","2","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","0.71073","MoKα","","0.0388","0.0325","","","0.0695","0.0719","","","","","","1.051","","","","has coordinates,has disorder","193688","2020-10-21","18:00:00",""
"7119565","14.2753","0.0005","15.5619","0.0003","16.6725","0.0007","91.118","0.003","110.507","0.004","100.549","0.003","3396.4","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H47 B F24 Ir N O2 P2 -","- C74 H47 B F24 Ir N O2 P2 -","- C148 H94 B2 F48 Ir2 N2 O4 P4 -","2","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","0.71073","MoKα","","0.0625","0.0433","","","0.0858","0.0941","","","","","","1.057","","","","has coordinates,has disorder","193688","2020-10-21","18:00:00",""
"7119566","14.26025","0.00019","15.46771","0.00019","17.3328","0.0002","90.9277","0.001","110.582","0.0012","103.184","0.0011","3465.26","0.08","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H47 B F24 Ir N O2 P2 -","- C74 H47 B F24 Ir N O2 P2 -","- C148 H94 B2 F48 Ir2 N2 O4 P4 -","2","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","1.54184","CuKα","","0.043","0.0393","","","0.0969","0.0997","","","","","","1.032","","","","has coordinates,has disorder","193688","2020-10-21","18:00:00",""
"7119567","25.3","0.004","25.3","0.004","64.395","0.013","90","","90","","120","","35696","11","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","lanthanide tetrahedron","Eu4L6","","- C180 H132 Eu4 F36 N36 O63 S12 -","- C180.001 H132 Eu4 F36.003 N36 O63.003 S12.001 -","- C1080.01 H792 Eu24 F216.018 N216 O378.018 S72.006 -","6","0.333333","","Liu, Cui-Lian; Zhou, Li-Peng; Tripathy, Debakanta; Sun, Qing-Fu","Self-assembly of stable luminescent lanthanide supramolecular M4L6 cages with sensing properties toward nitroaromatics.","Chemical communications (Cambridge, England)","2017","53","16","2459","2462","10.1039/c7cc00189d","","","0.97944","synchrotron","","0.1032","0.0965","","","0.2999","0.3103","","","","","","1.444","","","","has coordinates","193682","2020-10-21","18:00:00",""
"7119568","6.2849","0.0004","8.8158","0.0005","6.6483","0.0004","90","","96.781","0.003","90","","365.78","0.04","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tert-Butyl(Imino)(methyl)-λ6-sulfanone","","- C5 H13 N O S -","- C5 H13 N O S -","- C10 H26 N2 O2 S2 -","2","0.5","","Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent","Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.","Chemical communications (Cambridge, England)","2017","53","12","2064","2067","10.1039/c6cc09940h","","","0.71073","MoKα","","0.032","0.0303","","","0.0861","0.0874","","","","","","1.14","","","","has coordinates","193724","2020-10-21","18:00:00",""
"7119569","6.714","0.0003","6.7632","0.0003","27.8703","0.0012","90","","90","","90","","1265.54","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl(1-methyl-1-oxido-3-oxo-3,4,5,6-tetrahydro-2-thiazin-4-yl)carbamate","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent","Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.","Chemical communications (Cambridge, England)","2017","53","12","2064","2067","10.1039/c6cc09940h","","","0.71073","MoKα","","0.0398","0.0314","","","0.069","0.0731","","","","","","1.038","","","","has coordinates","193724","2020-10-21","18:00:00",""
"7119570","10.6636","0.0003","13.5571","0.0003","21.8099","0.0008","90","","90","","90","","3153","0.16","295.3","1","295.3","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O7 -","- C32 H38 N2 O7 -","- C128 H152 N8 O28 -","4","1","","Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.","Chemical communications (Cambridge, England)","2017","53","12","2060","2063","10.1039/c6cc10125a","","x-ray","1.54184","CuKα","","0.0712","0.0664","","","0.1833","0.1914","","","","","","1.034","","","","has coordinates","193718","2020-10-21","18:00:00",""
"7119571","14.196","0.0004","10.2666","0.0004","22.5256","0.0006","90","","104.088","0.003","90","","3184.24","0.18","293","1","293","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H35 Cl N2 O7 -","- C32 H35 Cl N2 O7 -","- C128 H140 Cl4 N8 O28 -","4","1","","Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.","Chemical communications (Cambridge, England)","2017","53","12","2060","2063","10.1039/c6cc10125a","","x-ray","1.54184","CuKα","","0.0635","0.0614","","","0.1688","0.1738","","","","","","1.055","","","","has coordinates","193718","2020-10-21","18:00:00",""
"7119572","5.8271","0.0007","12.4492","0.0014","16.779","0.002","90","","90","","90","","1217.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud","A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.","Chemical communications (Cambridge, England)","2017","53","15","2402","2405","10.1039/c6cc09160a","","","0.71073","MoKα","","0.0369","0.0339","","","0.0923","0.0949","","","","","","1.068","","","","has coordinates","193701","2020-10-21","18:00:00",""
"7119573","8.4826","0.0014","9.7874","0.0017","11.235","0.002","65.594","0.009","73.444","0.009","86.297","0.009","812.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ag2(?-Cl)2(NHC-N3)2","","","- C32 H26 Ag2 Cl2 N10 -","- C32 H26 Ag2 Cl2 N10 -","- C32 H26 Ag2 Cl2 N10 -","1","0.5","","Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud","A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.","Chemical communications (Cambridge, England)","2017","53","15","2402","2405","10.1039/c6cc09160a","","","0.71073","MoKα","","0.0429","0.033","","","0.0758","0.0814","","","","","","1.055","","","","has coordinates","193701","2020-10-21","18:00:00",""
"7119574","18.698","0.007","19.292","0.007","19.383","0.007","90","","91.045","0.004","90","","6991","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 Fe4 N6 O22 -","- C56 H66 Fe4 N6 O22 -","- C224 H264 Fe16 N24 O88 -","4","1","","Li, Yun-Wu; Yan, Hui; Hu, Tong-Liang; Ma, Hui-Yan; Li, Da-Cheng; Wang, Su-Na; Yao, Qing-Xia; Dou, Jian-Min; Xu, Jian; Bu, Xian-He","Two microporous Fe-based MOFs with multiple active sites for selective gas adsorption.","Chemical communications (Cambridge, England)","2017","53","15","2394","2397","10.1039/c6cc09923h","","","0.71073","MoKα","","0.1715","0.1307","","","0.3411","0.3758","","","","","","1.097","","","","has coordinates","193703","2020-10-21","18:00:00",""
"7119575","13.543","0.0012","19.3401","0.0017","23.223","0.002","90","","123.452","0.003","90","","5075","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Fe2 N4 Na3 O20 -","- C46 H47 Fe2 N4 Na3 O20 -","- C184 H188 Fe8 N16 Na12 O80 -","4","1","","Li, Yun-Wu; Yan, Hui; Hu, Tong-Liang; Ma, Hui-Yan; Li, Da-Cheng; Wang, Su-Na; Yao, Qing-Xia; Dou, Jian-Min; Xu, Jian; Bu, Xian-He","Two microporous Fe-based MOFs with multiple active sites for selective gas adsorption.","Chemical communications (Cambridge, England)","2017","53","15","2394","2397","10.1039/c6cc09923h","","","0.71073","MoKα","","0.2013","0.0891","","","0.2247","0.2693","","","","","","0.917","","","","has coordinates","193703","2020-10-21","18:00:00",""
"7119576","14.584","0.015","16.369","0.017","10.509","0.012","90","","100.14","0.02","90","","2470","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba5 Cu8 In2 S12 -","- Ba5 Cu8 In2 S12 -","- Ba20 Cu32 In8 S48 -","4","0.5","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Chen, Yu-Kun; Yu, Ju-Song; Wu, Li-Ming","Ba5Cu8In2S12: a quaternary semiconductor with a unique 3D copper-rich framework and ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2017","53","17","2590","2593","10.1039/c6cc09904a","","","0.71073","MoKα","","0.0565","0.0479","","","0.0787","0.0835","","","","","","1.134","","","","has coordinates","193675","2020-10-21","18:00:00",""
"7119577","9.217","0.004","33.638","0.014","10.663","0.005","90","","100.141","0.007","90","","3254","2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn(DPATpy)(OAc)2","","- C38 H34 N4 O5 Zn -","- C38 H34 N4 O5 Zn -","- C152 H136 N16 O20 Zn4 -","4","1","","Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi","A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.","Chemical communications (Cambridge, England)","2017","53","26","3657","3660","10.1039/c6cc10190a","","","0.71075","MoKα","","0.1503","0.0766","","","0.1875","0.2784","","","","","","0.978","","","","has coordinates","194964","2020-10-21","18:00:00",""
"7119578","8.5635","0.0003","34.049","0.001","10.7218","0.0003","90","","102.222","0.003","90","","3055.39","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 N4 O4 Zn -","- C37 H30 N4 O4 Zn -","- C148 H120 N16 O16 Zn4 -","4","0.5","","Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi","A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.","Chemical communications (Cambridge, England)","2017","53","26","3657","3660","10.1039/c6cc10190a","powder diffraction","","0.79683","synchrotron","","0.04","","","","","","0.048","0.048","","","","","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119579","18.84","0.005","15.678","0.004","20.073","0.006","90","","97.206","0.004","90","","5882","3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(u-sulfato-k2O)bis(4'-(4-diphenylaminophenyl)-2,2':6',2''-terpyridine-k3N)dizinc","","- C68 H56 N8 O10 S2 Zn2 -","- C68 H56 N8 O10 S2 Zn2 -","- C272 H224 N32 O40 S8 Zn8 -","4","1","","Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi","A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.","Chemical communications (Cambridge, England)","2017","53","26","3657","3660","10.1039/c6cc10190a","","","0.71075","MoKα","","0.218","0.0986","","","0.1517","0.199","","","","","","1.02","","","","has coordinates","194964","2020-10-21","18:00:00",""
"7119581","7.1675","0.0004","13.1365","0.0008","10.0074","0.0006","90","","101.075","0.0019","90","","924.71","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((3-Methyl-2,3-dihydrobenzofuran-3-yl)methyl)-3-phenylisoquinoline","","- C25 H21 N O -","- C25 H21 N O -","- C50 H42 N2 O2 -","2","1","","Yao, Tuanli; Liu, Tao; Zhang, Changhui","Palladium-catalyzed domino Heck/intermolecular cross-coupling: efficient synthesis of 4-alkylated isoquinoline derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2386","2389","10.1039/c6cc10075a","","","0.71073","MoKα","","0.1326","0.0618","","","0.1104","0.1316","","","","","","1.072","","","","has coordinates","193698","2020-10-21","18:00:00",""
"7119582","11.5198","0.0007","16.0676","0.0012","12.8839","0.0007","90","","113.931","0.002","90","","2179.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N3 O2 -","- C28 H19 N3 O2 -","- C112 H76 N12 O8 -","4","1","","Zhu, Chuan; Feng, Chao; Yamane, Motoki","Pd/Cu cooperative catalysis: an efficient synthesis of (3-isoindazolyl)allenes via cross-coupling of 2-alkynyl azobenzenes and terminal alkynes.","Chemical communications (Cambridge, England)","2017","53","17","2606","2609","10.1039/c7cc00562h","","","0.71073","MoKα","","0.0835","0.0543","","","0.147","0.1779","","","","","","1.072","","","","has coordinates","193671","2020-10-21","18:00:00",""
"7119583","11.053","0.0005","9.5096","0.0004","19.5855","0.0009","90","","104.225","0.002","90","","1995.5","0.15","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Zhu, Chuan; Feng, Chao; Yamane, Motoki","Pd/Cu cooperative catalysis: an efficient synthesis of (3-isoindazolyl)allenes via cross-coupling of 2-alkynyl azobenzenes and terminal alkynes.","Chemical communications (Cambridge, England)","2017","53","17","2606","2609","10.1039/c7cc00562h","","","0.71073","MoKα","","0.0612","0.0486","","","0.1311","0.147","","","","","","1.066","","","","has coordinates","193671","2020-10-21","18:00:00",""
"7119584","25.501","0.007","15.891","0.005","21.48","0.005","90","","137.701","0.008","90","","5858","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3Bz","Ethyl 6-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-(4-nitrophenyl)-5-phenylnicotinate","","- C33 H25 Cl N2 O5 -","- C33 H25 Cl N2 O5 -","- C264 H200 Cl8 N16 O40 -","8","1","","Hirai, Sho; Horikawa, Yurie; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Tailor-made synthesis of fully alkylated/arylated nicotinates by FeCl3-mediated condensation of enamino esters with enones.","Chemical communications (Cambridge, England)","2017","53","15","2390","2393","10.1039/c7cc00051k","","","0.71069","MoKα","","","0.0582","","","","0.1893","","","","","","0.911","","","","has coordinates","193704","2020-10-21","18:00:00",""
"7119585","5.1666","0.001","12.446","0.003","25.39","0.005","90","","90","","90","","1632.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N4 O2 -","- C14 H19 Br N4 O2 -","- C56 H76 Br4 N16 O8 -","4","1","","Zhu, Chuanle; Chen, Pengquan; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","C[double bond, length as m-dash]N bond formation via palladium-catalyzed carbene insertion into N[double bond, length as m-dash]N bonds: inhibiting the general 1,2-migration process of ylide intermediates.","Chemical communications (Cambridge, England)","2017","53","18","2697","2700","10.1039/c6cc10187a","","","0.71073","MoKα","","0.1708","0.0438","","","0.0753","0.1017","","","","","","0.829","","","","has coordinates","193709","2020-10-21","18:00:00",""
"7119586","13.1893","0.0002","13.5036","0.0003","20.9744","0.0015","89.405","0.006","87.338","0.006","67.798","0.005","3454.8","0.3","85","","85","","","","","","","","","6","P -1","-P 1","2","","6,6""-(2,4,6-trimethylphenylamino terpyridine)-bis-triphenylphosphino-hydrido-ruthenium hexafluorophosphate","","- C83 H80 F6 N5 P3 Ru -","- C83 H80 F6 N5 P3 Ru -","- C166 H160 F12 N10 P6 Ru2 -","2","1","","Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.","Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates.","Chemical communications (Cambridge, England)","2017","53","14","2287","2289","10.1039/c6cc10206a","","","1.54187","CuKα","","0.0781","0.0699","","","0.1881","0.1969","","","","","","1.113","","","","has coordinates,has disorder","193695","2020-10-21","18:00:00",""
"7119587","20.7269","0.0004","21.437","0.0005","22.2463","0.0004","113.71","0.002","96.4927","0.0017","113.636","0.002","7835.2","0.4","85","","85","","","","","","","","","6","P -1","-P 1","2","","6,6""-(2,4,6-trimethylphenylamino terpyridine)-triphenylphosphino-ruthenium dichloride","","- C61 H58 Cl2 N5 P Ru -","- C61 H58 Cl2 N5 P Ru -","- C366 H348 Cl12 N30 P6 Ru6 -","6","3","","Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.","Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates.","Chemical communications (Cambridge, England)","2017","53","14","2287","2289","10.1039/c6cc10206a","","x-ray","1.54184","CuKα","","0.1085","0.084","","","0.2162","0.2548","","","","","","1.012","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119590","22.891","0.009","10.538","0.002","19.245","0.006","90","","127.27","0.05","90","","3694","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl Fe0.5 N2 O9 -","- C16 H14 Cl Fe0.5 N2 O9 -","- C128 H112 Cl8 Fe4 N16 O72 -","8","1","","Xiang, Jing; Liu, Jia-Jia; Chen, Xiao-Xiang; Jia, Li-Hui; Yu, Fei; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in a mononuclear 8-coordinate Fe(ii) complex.","Chemical communications (Cambridge, England)","2017","53","9","1474","1477","10.1039/c6cc09801k","","","1.54184","CuKα","","0.1873","0.0908","","","0.2364","0.3022","","","","","","0.96","","","","has coordinates","191434","2020-10-21","18:00:00",""
"7119591","25.444","0.002","25.444","0.002","5.2862","0.0006","90","","90","","120","","2963.8","0.5","100","2","100","2","","","","","","","","5","P 3","P 3","143","dg_inp_benzamin2","dg_inp_benzamin2","","- C45 H48 In N3 O6 -","- C45 H48 In N3 O6 -","- C135 H144 In3 N9 O18 -","3","1","","Gary, Dylan C.; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement.","Chemical communications (Cambridge, England)","2016","53","1","161","164","10.1039/c6cc07952k","","","0.71073","MoKα","","0.1216","0.0829","","","0.156","0.1725","","","","","","1.024","","","","has coordinates","191435","2020-10-21","18:00:00",""
"7119592","12.044","0.005","14.466","0.006","19.396","0.008","81.95","0.02","77.12","0.02","69.98","0.02","3088","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H96 N4 P2 Si2 -","- C63.5 H96 N4 P2 Si2 -","- C127 H192 N8 P4 Si4 -","2","1","","Kundu, Subrata; Mohapatra, Chandrajeet; Samuel, Prinson P.; Kretsch, Johannes; Walawalkar, M. G.; Herbst-Irmer, Regine; Stalke, Dietmar; De, Sriman; Koley, Debasis; Roesky, Herbert W.","An unprecedented 1,4-diphospha-2,3-disila butadiene (-P[double bond, length as m-dash]Si-Si[double bond, length as m-dash]P-) derivative and a 1,3-diphospha-2-silaallyl anion, each stabilized by the amidinate ligand.","Chemical communications (Cambridge, England)","2016","53","1","192","195","10.1039/c6cc09171g","","","0.71073","MoKα","","0.058","0.0382","","","0.0912","0.1043","","","","","","1.033","","","","has coordinates,has disorder","191436","2020-10-21","18:00:00",""
"7119593","10.771","0.003","13.848","0.003","22.433","0.005","101.05","0.01","103.86","0.01","100.66","0.01","3093.4","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H101 K N2 O7 P2 Si -","- C61 H101 K N2 O7 P2 Si -","- C122 H202 K2 N4 O14 P4 Si2 -","2","1","","Kundu, Subrata; Mohapatra, Chandrajeet; Samuel, Prinson P.; Kretsch, Johannes; Walawalkar, M. G.; Herbst-Irmer, Regine; Stalke, Dietmar; De, Sriman; Koley, Debasis; Roesky, Herbert W.","An unprecedented 1,4-diphospha-2,3-disila butadiene (-P[double bond, length as m-dash]Si-Si[double bond, length as m-dash]P-) derivative and a 1,3-diphospha-2-silaallyl anion, each stabilized by the amidinate ligand.","Chemical communications (Cambridge, England)","2016","53","1","192","195","10.1039/c6cc09171g","","","0.56086","AgKα","","0.0416","0.0331","","","0.0764","0.0813","","","","","","1.04","","","","has coordinates,has disorder","191436","2020-10-21","18:00:00",""
"7119594","14.1479","0.0007","12.1971","0.0007","19.3891","0.0013","90","","100.086","0.006","90","","3294.1","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Al B Br2 N2 O -","- C30 H44 Al B Br2 N2 O -","- C120 H176 Al4 B4 Br8 N8 O4 -","4","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0686","0.0379","","","0.0739","0.0831","","","","","","1.019","","","","has coordinates","191437","2020-10-21","18:00:00",""
"7119595","13.955","0.0011","11.3797","0.0008","20.3233","0.0016","90","","109.513","0.004","90","","3042.1","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 B2 Fe2 Ga2 N4 O8 -","- C60 H72 B2 Fe2 Ga2 N4 O8 -","- C120 H144 B4 Fe4 Ga4 N8 O16 -","2","0.5","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0465","0.0306","","","0.0676","0.0732","","","","","","1.031","","","","has coordinates","191438","2020-10-21","18:00:00",""
"7119596","12.5003","0.0004","21.3651","0.0008","19.663","0.0007","90","","93.175","0.003","90","","5243.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Br In N4 -","- C52 H72 B2 Br In N4 -","- C208 H288 B8 Br4 In4 N16 -","4","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0604","0.0372","","","0.0795","0.0887","","","","","","1.023","","","","has coordinates","191439","2020-10-21","18:00:00",""
"7119597","10.2077","0.001","12.3372","0.0011","13.3681","0.0015","90","","106.068","0.011","90","","1617.7","0.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 B Cl2 Ga N2 O -","- C30 H44 B Cl2 Ga N2 O -","- C60 H88 B2 Cl4 Ga2 N4 O2 -","2","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0398","0.0338","","","0.0783","0.083","","","","","","1.062","","","","has coordinates","191440","2020-10-21","18:00:00",""
"7119598","14.126","0.0007","12.1475","0.0006","19.3683","0.0011","90","","100.037","0.005","90","","3272.6","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 B Br2 Ga N2 O -","- C30 H44 B Br2 Ga N2 O -","- C120 H176 B4 Br8 Ga4 N8 O4 -","4","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0494","0.0314","","","0.066","0.0725","","","","","","1.029","","","","has coordinates","191441","2020-10-21","18:00:00",""
"7119599","12.057","0.002","12.316","0.003","25.08","0.005","90","","91.93","0.03","90","","3722.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H96 Al2 B2 Fe2 N4 O10 -","- C75 H96 Al2 B2 Fe2 N4 O10 -","- C150 H192 Al4 B4 Fe4 N8 O20 -","2","0.5","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.7109","Synchrotron","","0.0606","0.0496","","","0.1215","0.1284","","","","","","1.026","","","","has coordinates,has disorder","191442","2020-10-21","18:00:00",""
"7119600","5.3751","0.0003","7.6377","0.0004","38.647","0.002","90","","90","","90","","1586.59","0.15","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","1","","Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.","Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.","Chemical communications (Cambridge, England)","2016","53","1","107","110","10.1039/c6cc08365j","","x-ray","0.71073","MoKα","","0.0375","0.0311","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","191444","2020-10-21","18:00:00",""
"7119601","5.371","0.0012","10.283","0.002","29.398","0.007","87.277","0.008","84.938","0.008","89.485","0.008","1615.5","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","2","","Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.","Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.","Chemical communications (Cambridge, England)","2016","53","1","107","110","10.1039/c6cc08365j","","x-ray","0.71073","MoKα","","0.0643","0.052","","","0.1079","0.1137","","","","","","1.134","","","","has coordinates","191444","2020-10-21","18:00:00",""
"7119602","9.1381","0.0012","10.1764","0.0013","10.7753","0.0014","99.9","0.002","92.142","0.002","100.863","0.002","966.9","0.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br N O2 S -","- C23 H18 Br N O2 S -","- C46 H36 Br2 N2 O4 S2 -","2","1","","Cao, Bo; Simaan, Marwan; Marek, Ilan; Wei, Yin; Shi, Min","Palladium-catalyzed oxidative cyclization of aniline-tethered alkylidenecyclopropanes with O2: a facile protocol to selectively synthesize 2- and 3-vinylindoles.","Chemical communications (Cambridge, England)","2016","53","1","216","219","10.1039/c6cc08731k","","","0.71073","MoKα","","0.0547","0.0403","","","0.1024","0.1097","","","","","","1.022","","","","has coordinates","191445","2020-10-21","18:00:00",""
"7119603","5.7303","0.0001","7.7701","0.0002","27.8613","0.0006","90","","90","","90","","1240.52","0.05","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Zhang, Yuexia; Wong, Zeng Rong; Wu, Xingxing; Lauw, Sherman J. L.; Huang, Xuan; Webster, Richard D.; Chi, Yonggui Robin","Sulfoxidation of alkenes and alkynes with NFSI as a radical initiator and selective oxidant.","Chemical communications (Cambridge, England)","2016","53","1","184","187","10.1039/c6cc08631d","","","1.54178","CuKα","","0.0466","0.0438","","","0.1004","0.1016","","","","","","1.077","","","","has coordinates","191446","2020-10-21","18:00:00",""
"7119604","26.557","0.004","5.7283","0.0009","8.4734","0.0014","90","","105.676","0.003","90","","1241.1","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H11 Cl O S -","- C14 H11 Cl O S -","- C56 H44 Cl4 O4 S4 -","4","1","","Zhang, Yuexia; Wong, Zeng Rong; Wu, Xingxing; Lauw, Sherman J. L.; Huang, Xuan; Webster, Richard D.; Chi, Yonggui Robin","Sulfoxidation of alkenes and alkynes with NFSI as a radical initiator and selective oxidant.","Chemical communications (Cambridge, England)","2016","53","1","184","187","10.1039/c6cc08631d","","","0.71073","MoKα","","0.0291","0.0265","","","0.0624","0.0639","","","","","","1.059","","","","has coordinates","191446","2020-10-21","18:00:00",""
"7119605","14.2258","0.0017","12.7624","0.0018","13.8668","0.0013","90","","117.138","0.014","90","","2240.4","0.5","149.9","0.2","149.9","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Cl2 Cu N4 O S -","- C18 H6 Br2 Cl2 Cu N4 O S -","- C72 H24 Br8 Cl8 Cu4 N16 O4 S4 -","4","1","","Montagner, D.; Fresch, B.; Browne, K.; Gandin, V.; Erxleben, A.","A Cu(ii) complex targeting the translocator protein: in vitro and in vivo antitumor potential and mechanistic insights.","Chemical communications (Cambridge, England)","2016","53","1","134","137","10.1039/c6cc08100b","","","0.71073","MoKα","","0.2037","0.0863","","","0.1766","0.2413","","","","","","1.017","","","","has coordinates,has disorder","191447","2020-10-21","18:00:00",""
"7119606","11.704","0.0008","18.1966","0.0009","13.7408","0.0007","90","","105.421","0.007","90","","2821.1","0.3","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H39 B11 N2 O3 S -","- C17 H39 B11 N2 O3 S -","- C68 H156 B44 N8 O12 S4 -","4","1","","Shen, Yunjun; Pan, Yani; Liu, Jiyong; Sattasathuchana, Tosaporn; Baldridge, Kim K.; Duttwyler, Simon","Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anion.","Chemical communications (Cambridge, England)","2016","53","1","176","179","10.1039/c6cc08121e","","","0.71073","MoKα","","0.0897","0.058","","","0.1341","0.1541","","","","","","1.021","","","","has coordinates,has disorder","191448","2020-10-21","18:00:00",""
"7119607","31.5995","0.0015","11.8627","0.0004","22.3097","0.0008","90","","107.086","0.005","90","","7993.8","0.6","293","2","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H55 B11 Ir N3 O3 S -","- C29 H55 B11 Ir N3 O3 S -","- C232 H440 B88 Ir8 N24 O24 S8 -","8","1","","Shen, Yunjun; Pan, Yani; Liu, Jiyong; Sattasathuchana, Tosaporn; Baldridge, Kim K.; Duttwyler, Simon","Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anion.","Chemical communications (Cambridge, England)","2016","53","1","176","179","10.1039/c6cc08121e","","","0.71073","MoKα","","0.0537","0.0393","","","0.1008","0.1095","","","","","","1.05","","","","has coordinates","191448","2020-10-21","18:00:00",""
"7119608","8.9017","0.0018","9.2639","0.0019","13.141","0.003","97.1","0.03","101.59","0.03","107.3","0.03","993.9","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42.77 H39.54 Cl1.54 N2 O4 S2 -","- C42.76 H39.52 Cl1.52 N2 O4 S2 -","- C42.76 H39.52 Cl1.52 N2 O4 S2 -","1","0.5","","Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui","Fluoroalkyl-modified naphthodithiophene diimides.","Chemical communications (Cambridge, England)","2016","53","1","188","191","10.1039/c6cc07102c","","","0.71073","MoKα","","0.0876","0.0774","","","0.2008","0.2086","","","","","","1.099","","","","has coordinates,has disorder","191449","2020-10-21","18:00:00",""
"7119609","6.6539","0.0013","13.569","0.003","14.64","0.003","71.22","0.03","78.76","0.03","84.06","0.03","1226.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 F18 N2 O4 S2 -","- C50 H36 F18 N2 O4 S2 -","- C50 H36 F18 N2 O4 S2 -","1","0.5","","Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui","Fluoroalkyl-modified naphthodithiophene diimides.","Chemical communications (Cambridge, England)","2016","53","1","188","191","10.1039/c6cc07102c","","","0.71073","MoKα","","0.11","0.0913","","","0.2051","0.2191","","","","","","1.125","","","","has coordinates,has disorder","191449","2020-10-21","18:00:00",""
"7119610","28.23","0.02","11.002","0.009","8.319","0.007","90","","93.13","0.011","90","","2580","4","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F14 N2 O4 S2 -","- C26 H8 F14 N2 O4 S2 -","- C104 H32 F56 N8 O16 S8 -","4","1","","Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui","Fluoroalkyl-modified naphthodithiophene diimides.","Chemical communications (Cambridge, England)","2016","53","1","188","191","10.1039/c6cc07102c","","","0.71073","MoKα","","0.1393","0.1312","","","0.3363","0.34","","","","","","1.17","","","","has coordinates,has disorder","191449","2020-10-21","18:00:00",""
"7119611","9.7362","0.0003","11.7081","0.0003","13.2219","0.0005","90","0","111.371","0.001","90","0","1403.56","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C60 H68 N4 O18 -","2","1","","Coffinet, Michaël; Massicot, Fabien; Joseph, Jomy; Behr, Jean-Bernard; Jaroschik, Florian; Vasse, Jean-Luc","(+)-Camphor-mediated kinetic resolution of allylalanes: a strategy towards enantio-enriched cyclohex-2-en-1-ylalane.","Chemical communications (Cambridge, England)","2016","53","1","111","114","10.1039/c6cc08649g","","","1.54178","CuKα","","0.0301","0.0287","","","0.0696","0.0707","","","","","","1.038","","","","has coordinates","191450","2020-10-21","18:00:00",""
"7119612","5.8561","0.0003","23.26","0.0009","44.864","0.002","90","","90","","90","","6111.1","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O2 S -","- C38 H32 N2 O2 S -","- C304 H256 N16 O16 S8 -","8","2","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","1.54184","CuKα","","0.0947","0.0585","","","","0.1611","","","","","","1.056","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119613","12.3872","0.0006","14.0558","0.0006","20.5038","0.001","87.217","0.004","82.18","0.004","66.748","0.004","3249.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N2 O2 S -","- C40 H36 N2 O2 S -","- C160 H144 N8 O8 S4 -","4","2","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","0.71073","MoKα","","0.1364","0.0713","","","","0.1829","","","","","","1.058","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119614","17.0963","0.0019","5.7666","0.0006","30.224","0.003","90","","96.798","0.01","90","","2958.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N2 O2 S -","- C37 H29 N2 O2 S -","- C148 H116 N8 O8 S4 -","4","1","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","1.54184","CuKα","","0.0845","0.0641","","","","0.2096","","","","","","1.0365","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119623","14.322","0.0004","17.7665","0.0005","17.7815","0.0005","113.335","0.002","100.303","0.002","93.903","0.002","4038.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H144 I10 N24 Na2 O18 -","- C152 H144 I10 N24 Na2 O18 -","- C152 H144 I10 N24 Na2 O18 -","1","0.5","","Borissov, Arseni; Lim, Jason Y. C.; Brown, Asha; Christensen, Kirsten E.; Thompson, Amber L.; Smith, Martin D.; Beer, Paul D.","Neutral iodotriazole foldamers as tetradentate halogen bonding anion receptors.","Chemical communications (Cambridge, England)","2017","53","16","2483","2486","10.1039/c7cc00727b","","","0.6889","Synchrotron","","0.118","0.0996","","0.2929","0.2809","0.2929","","","","","","0.9962","","","","has coordinates","291143","2024-04-09","08:48:53",""
"7119624","11.3868","0.0017","11.3868","0.0017","37.478","0.006","90","","90","","90","","4859.4","1.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C192 H192 N32 O32 S16 -","16","4","","Wang, Ming; Wei, Jianpeng; Fan, Qiaoling; Jiang, Xuefeng","Cu(ii)-catalyzed sulfide construction: both aryl groups utilization of intermolecular and intramolecular diaryliodonium salt.","Chemical communications (Cambridge, England)","2017","53","20","2918","2921","10.1039/c6cc09201b","","","0.71073","MoKα","","0.1966","0.1085","","","0.2759","0.3286","","","","","","1.043","","","","has coordinates","194976","2020-10-21","18:00:00",""
"7119625","14.811","0.004","15.977","0.004","17.68","0.006","115.619","0.007","108.577","0.008","91.4359","0.0008","3510.4","1.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H42 Br12 Cl6 N6 -","- C69 H42 Br12 Cl6 N6 -","- C138 H84 Br24 Cl12 N12 -","2","1","","Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro","Exploring the ""fold-in"" strategy toward the construction of a highly-strained triazasumanene skeleton.","Chemical communications (Cambridge, England)","2017","53","18","2705","2708","10.1039/c7cc00329c","","","1.54187","CuKα","","0.0512","0.0491","","","0.1429","0.1447","","","","","","1.026","","","","has coordinates,has disorder","193716","2020-10-21","18:00:00",""
"7119626","12.811","0.005","11.964","0.005","18.267","0.007","90","","102.187","0.008","90","","2736.7","1.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N3 O -","- C36 H31 N3 O -","- C144 H124 N12 O4 -","4","1","","Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro","Exploring the ""fold-in"" strategy toward the construction of a highly-strained triazasumanene skeleton.","Chemical communications (Cambridge, England)","2017","53","18","2705","2708","10.1039/c7cc00329c","","","1.54187","CuKα","","0.0989","0.0598","","","0.1489","0.186","","","","","","1.04","","","","has coordinates","193716","2020-10-21","18:00:00",""
"7119627","10.647","0.003","9.151","0.002","25.792","0.007","90","","90.319","0.008","90","","2512.9","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H19 Cl3.33 N3 -","- C31.4999 H19 Cl3.3331 N3 -","- C126 H76 Cl13.3324 N12 -","4","1","","Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro","Exploring the ""fold-in"" strategy toward the construction of a highly-strained triazasumanene skeleton.","Chemical communications (Cambridge, England)","2017","53","18","2705","2708","10.1039/c7cc00329c","","","1.54187","CuKα","","0.1249","0.0867","","","0.244","0.2804","","","","","","1.026","","","","has coordinates,has disorder","193716","2020-10-21","18:00:00",""
"7119628","18.8982","0.0009","18.8982","0.0009","28.7167","0.0014","90","","90","","120","","8881.9","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H120 B2 O7 Si8 -","- C144 H120 B2 O7 Si8 -","- C432 H360 B6 O21 Si24 -","3","0.166667","","Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-catalysed multicomponent synthesis of borasiloxanes.","Chemical communications (Cambridge, England)","2017","53","16","2515","2518","10.1039/c7cc00787f","","","0.71073","MoKα","","0.0546","0.0475","","","0.1149","0.1197","","","","","","1.102","","","","has coordinates","193679","2020-10-21","18:00:00",""
"7119629","4.7566","0.0002","8.3266","0.0003","10.6298","0.0007","90","","101.601","0.004","90","","412.41","0.04","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","aluminium oxonitridoimidophosphate","","","- Al H2 N11 O P6 -","- Al H2 N11 O P6 -","- Al2 H4 N22 O2 P12 -","2","0.5","","Neudert, Lukas; Heinke, Frank; Bräuniger, Thomas; Pucher, Florian J.; Vaughan, Gavin B.; Oeckler, Oliver; Schnick, Wolfgang","An unusual nitride network of aluminum-centered octahedra and phosphorus-centered tetrahedra and structure determination from microcrystalline samples.","Chemical communications (Cambridge, England)","2017","53","18","2709","2712","10.1039/c7cc00233e","","","0.3351","synchrotron","","0.0351","0.0285","","","0.0702","0.0735","","","","","","1.046","","","","has coordinates","193707","2020-10-21","18:00:00",""
"7119630","7.5822","0.0004","8.8509","0.0005","10.0505","0.0006","93.807","0.005","110.4","0.005","92.911","0.005","628.81","0.07","170","0.1","170","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa","Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.","Chemical communications (Cambridge, England)","2017","53","18","2677","2680","10.1039/c7cc00218a","","x-ray","1.54178","CuKα","","0.0503","0.0467","","","0.1228","0.1266","","","","","","1.047","","","","has coordinates","193708","2020-10-21","18:00:00",""
"7119631","5.58064","0.00008","21.634","0.0003","13.33275","0.00019","90","","101.869","0.0014","90","","1575.27","0.04","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa","Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.","Chemical communications (Cambridge, England)","2017","53","18","2677","2680","10.1039/c7cc00218a","","x-ray","1.54178","CuKα","","0.0373","0.0348","","","0.0894","0.0914","","","","","","1.053","","","","has coordinates","193708","2020-10-21","18:00:00",""
"7119632","5.5202","0.0009","22.281","0.004","11.6371","0.0019","90","","90.287","0.003","90","","1431.3","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa","Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.","Chemical communications (Cambridge, England)","2017","53","18","2677","2680","10.1039/c7cc00218a","","","0.71073","MoKα","","0.0417","0.0366","","","0.0857","0.089","","","","","","1.06","","","","has coordinates","193708","2020-10-21","18:00:00",""
"7119633","8.949","0.003","14.797","0.004","15.706","0.005","90","","90","","90","","2079.8","1.1","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O3 S -","- C19 H26 Br N O3 S -","- C76 H104 Br4 N4 O12 S4 -","4","1","","Sirvent, Ana; Soler, Tatiana; Foubelo, Francisco; Yus, Miguel","Selective palladium(ii)-mediated oxidation of homoallylic N-tert-butanesulfinyl amine derivatives.","Chemical communications (Cambridge, England)","2017","53","18","2701","2704","10.1039/c7cc00826k","","","0.71073","MoKα","","0.0772","0.0473","","","0.1104","0.1264","","","","","","1.024","","","","has coordinates","193711","2020-10-21","18:00:00",""
"7119634","25.295","0.003","10.0831","0.001","19.1963","0.0019","90","","125.97","0.001","90","","3962.5","0.7","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","","Mei, Guang-Jian; Zhu, Zi-Qi; Zhao, Jia-Jia; Bian, Chen-Yu; Chen, Jie; Chen, Ruo-Wei; Shi, Feng","Brønsted acid-catalyzed stereoselective [4+3] cycloadditions of ortho-hydroxybenzyl alcohols with N,N'-cyclic azomethine imines.","Chemical communications (Cambridge, England)","2017","53","18","2768","2771","10.1039/c6cc09775h","","","0.71073","MoKα","","0.0752","0.0441","","","0.1031","0.1204","","","","","","1.009","","","","has coordinates","193715","2020-10-21","18:00:00",""
"7119635","9.6097","0.0005","9.429","0.0006","27.172","0.0012","90","","97.692","0.003","90","","2439.9","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Mei, Guang-Jian; Zhu, Zi-Qi; Zhao, Jia-Jia; Bian, Chen-Yu; Chen, Jie; Chen, Ruo-Wei; Shi, Feng","Brønsted acid-catalyzed stereoselective [4+3] cycloadditions of ortho-hydroxybenzyl alcohols with N,N'-cyclic azomethine imines.","Chemical communications (Cambridge, England)","2017","53","18","2768","2771","10.1039/c6cc09775h","","","1.54178","CuKα","","0.0649","0.0513","","","0.1378","0.149","","","","","","1.026","","","","has coordinates","193715","2020-10-21","18:00:00",""
"7119636","9.645","0.004","11.952","0.005","19.826","0.008","90","","90","","90","","2285.5","1.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N3 O -","- C27 H22 Cl N3 O -","- C108 H88 Cl4 N12 O4 -","4","1","","Yamauchi, Daisuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric hydroarylation of vinyl ethers catalyzed by a hydroxoiridium complex: azoles as effective directing groups.","Chemical communications (Cambridge, England)","2017","53","18","2760","2763","10.1039/c7cc00238f","","","1.54187","CuKα","","0.0673","0.0449","","","0.0941","0.1031","","","","","","1.043","","","","has coordinates","193717","2020-10-21","18:00:00",""
"7119637","12.998","0.0009","11.2086","0.0008","14.9044","0.001","90","","104.191","0.003","90","","2105.1","0.3","100","","100","","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C22 H24 Br2 N2 Pd -","- C22 H24 Br2 N2 Pd -","- C88 H96 Br8 N8 Pd4 -","4","1","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.016","0.0154","","","0.0372","0.0373","","","","","","1.077","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119638","17.4798","0.0014","16.3475","0.0013","17.1405","0.0014","90","","110.78","0.003","90","","4579.3","0.6","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Br2 N4 Pd2 -","- C44 H50 Br2 N4 Pd2 -","- C176 H200 Br8 N16 Pd8 -","4","0.5","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.0198","0.0166","","","0.0418","0.0431","","","","","","1.052","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119639","16.011","0.003","24.099","0.004","14.46","0.002","90","","90","","90","","5579.4","1.6","100","","100","","","","","","","","see text","8","P c c n","-P 2ab 2ac","56","","","","- C46 H52 B2 Br2 Cl4 F8 N4 Pd2 -","- C46 H52 B2 Br2 Cl4 F8 N4 Pd2 -","- C184 H208 B8 Br8 Cl16 F32 N16 Pd8 -","4","0.5","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.0455","0.0391","","","0.0856","0.0901","","","","","","1.208","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7119640","22.183","0.003","38.918","0.005","29.113","0.004","90","","111.441","0.008","90","","23394","6","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C103 H120 N8 O8 Pd4 -","- C103 H120 N8 O8 Pd4 -","- C824 H960 N64 O64 Pd32 -","8","2","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.1451","0.0778","","","0.1655","0.2125","","","","","","1.045","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7119641","29.7613","0.001","18.2178","0.0006","10.1451","0.0003","90","","90","","90","","5500.5","0.3","99.95","0.1","99.95","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Cl6 Sb -","- C30 H22 Cl6 Sb -","- C240 H176 Cl48 Sb8 -","8","0.5","","Ivanov, Maxim V.; Thakur, Khushabu; Bhatnagar, Anshul; Rathore, Rajendra","Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization.","Chemical communications (Cambridge, England)","2017","53","18","2748","2751","10.1039/c6cc10307c","","x-ray","1.54184","CuKα","","0.0418","0.0389","","","0.0943","0.0966","","","","","","1.046","","","","has coordinates","193712","2020-10-21","18:00:00",""
"7119642","7.64722","0.00007","10.95523","0.00014","22.9991","0.0003","90","","94.4658","0.001","90","","1920.95","0.04","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","1","","Ivanov, Maxim V.; Thakur, Khushabu; Bhatnagar, Anshul; Rathore, Rajendra","Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization.","Chemical communications (Cambridge, England)","2017","53","18","2748","2751","10.1039/c6cc10307c","","x-ray","1.54184","CuKα","","0.042","0.037","","","0.0928","0.0975","","","","","","1.045","","","","has coordinates","193712","2020-10-21","18:00:00",""
"7119643","10.1626","0.0006","8.6719","0.0005","22.3916","0.0013","90","","92.173","0.002","90","","1971.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Pérez-Gómez, Marta; Hernández-Ponte, Sergio; Bautista, Delia; García-López, José-Antonio","Synthesis of spiro-oxoindoles through Pd-catalyzed remote C-H alkylation using α-diazocarbonyl compounds.","Chemical communications (Cambridge, England)","2017","53","19","2842","2845","10.1039/c7cc00065k","","","0.71073","MoKα","","0.0525","0.0427","","","0.1","0.1057","","","","","","1.057","","","","has coordinates","193678","2020-10-21","18:00:00",""
"7119644","19.543","0.004","24.165","0.005","23.605","0.005","90","","90","","90","","11148","4","200","","200","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C57.74 H85.74 Mn N6 -","- C57.734 H85.734 Mn N6 -","- C461.872 H685.872 Mn8 N48 -","8","1","","Leconte, Nicolas; Moutet, Jules; Herasymchuk, Khrystyna; Clarke, Ryan M.; Philouze, Christian; Luneau, Dominique; Storr, Tim; Thomas, Fabrice","Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand.","Chemical communications (Cambridge, England)","2017","53","18","2764","2767","10.1039/c7cc00516d","","x-ray","0.71073","MoKα","","0.0659","0.0446","","","0.1005","0.112","","","","","","1.11","","","","has coordinates,has disorder","193710","2020-10-21","18:00:00",""
"7119645","15.525","0.003","33.075","0.007","16.286","0.003","90","","118.46","0.03","90","","7352","3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H96 F12 Mn N6 Sb2 -","- C61 H96 F12 Mn N6 Sb2 -","- C244 H384 F48 Mn4 N24 Sb8 -","4","0.5","","Leconte, Nicolas; Moutet, Jules; Herasymchuk, Khrystyna; Clarke, Ryan M.; Philouze, Christian; Luneau, Dominique; Storr, Tim; Thomas, Fabrice","Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand.","Chemical communications (Cambridge, England)","2017","53","18","2764","2767","10.1039/c7cc00516d","","x-ray","0.71073","MoKα","","0.0746","0.0447","","","0.1192","0.1534","","","","","","1.147","","","","has coordinates,has disorder","193710","2020-10-21","18:00:00",""
"7119646","12.866","0.003","15.691","0.004","15.444","0.004","90","","96.98","0.004","90","","3094.7","1.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 B F15 O P -","- C31 H29 B F15 O P -","- C124 H116 B4 F60 O4 P4 -","4","1","","Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal","Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.","Chemical communications (Cambridge, England)","2017","53","22","3205","3208","10.1039/c6cc08044h","","","0.71073","MoKα","","0.1482","0.1338","","","0.2798","0.2872","","","","","","1.607","","","","has coordinates","194943","2020-10-21","18:00:00",""
"7119647","9.2422","0.0014","11.3099","0.0017","18.117","0.003","104.882","0.002","104.203","0.002","96.931","0.002","1739.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 B Cl F15 O P -","- C32 H33 B Cl2 F15 O2 P -","- C64 H66 B2 Cl4 F30 O4 P2 -","2","1","","Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal","Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.","Chemical communications (Cambridge, England)","2017","53","22","3205","3208","10.1039/c6cc08044h","","","0.71073","MoKα","","0.0985","0.0652","","","0.1888","0.2076","","","","","","1.166","","","","has coordinates","194943","2020-10-21","18:00:00",""
"7119648","9.5107","0.0018","11.529","0.002","15.63","0.003","105.489","0.003","92.093","0.003","104.513","0.003","1589","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Al F15 O P -","- C31 H29 Al F15 O P -","- C62 H58 Al2 F30 O2 P2 -","2","1","","Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal","Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.","Chemical communications (Cambridge, England)","2017","53","22","3205","3208","10.1039/c6cc08044h","","","0.71073","MoKα","","0.0835","0.0508","","","0.1412","0.1634","","","","","","0.915","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119657","8.7225","0.0007","10.1995","0.0008","22.6633","0.0018","90","","90","","90","","2016.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Ma, Chaoqun; Chen, Jianghui; Xing, Dong; Sheng, Yuan; Hu, Wenhao","Iron catalyzed efficient synthesis of poly-functional primary amines via the direct use of ammonia.","Chemical communications (Cambridge, England)","2017","53","19","2854","2857","10.1039/c7cc00003k","","","0.71073","MoKα","","0.0364","0.0335","","","0.0838","0.0863","","","","","","1.036","","","","has coordinates","193677","2020-10-21","18:00:00",""
"7119658","19.376","0.003","12.405","0.002","16.135","0.003","90","","94.809","0.003","90","","3864.5","1.1","88","2","88","2","","","","","","","","5","C 1 2 1","C 2y","5","Ac-DELTA1-5-Arg10-teixobactin","Acetyl-DELTA1-5-Arg10-teixobactin","","- C30 H57 Cl N9 O10.5 -","- C30 H57 Cl N9 O10.5 -","- C120 H228 Cl4 N36 O42 -","4","1","","Yang, H.; Du Bois, D. R.; Ziller, J. W.; Nowick, J. S.","X-ray crystallographic structure of a teixobactin analogue reveals key interactions of the teixobactin pharmacophore.","Chemical communications (Cambridge, England)","2017","53","18","2772","2775","10.1039/c7cc00783c","","","0.71073","MoKα","","0.0625","0.0424","","","0.0811","0.0878","","","","","","1.016","","","","has coordinates","193706","2020-10-21","18:00:00",""
"7119659","9.9714","0.0006","20.0277","0.001","19.2707","0.0011","90","","90.215","0.002","90","","3848.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(SiHP2)Cu(CbzI)","","","- C37 H46 Cu I2 N P2 Si -","- C37 H46 Cu I2 N P2 Si -","- C148 H184 Cu4 I8 N4 P8 Si4 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.1033","0.09","","","0.229","0.2357","","","","","","1.094","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119660","10.1387","0.0006","9.3035","0.0006","20.649","0.0013","90","","97.005","0.002","90","","1933.2","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","(PPMeP)Cu(Cbz)","","","- C41 H55 Cu N O P3 -","- C41 H55 Cu N O P3 -","- C82 H110 Cu2 N2 O2 P6 -","2","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0526","0.0399","","","0.0868","0.0954","","","","","","1.156","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119661","10.5183","0.0006","16.4152","0.0009","15.7633","0.0009","90","","98.452","0.003","90","","2692.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPMeP)CuCl","","","- C25 H39 Cl Cu P3 -","- C25 H39 Cl Cu P3 -","- C100 H156 Cl4 Cu4 P12 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0501","0.0433","","","0.1265","0.1293","","","","","","1.175","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119662","9.9922","0.0007","19.9115","0.0013","18.944","0.0013","90","","90.494","0.002","90","","3769","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PPMeP)Cu(CbzI)","","","- C37 H45 Cu I2 N P3 -","- C37 H45 Cu I2 N P3 -","- C148 H180 Cu4 I8 N4 P12 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0906","0.0518","","","0.1145","0.1321","","","","","","1.001","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119663","18.7897","0.0006","19.9849","0.0006","21.0601","0.0006","90","","90","","90","","7908.3","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(SiHP2)Cu(Cbz)","","","- C43 H54 Cu N P2 Si -","- C43 H54 Cu N P2 Si -","- C344 H432 Cu8 N8 P16 Si8 -","8","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0957","0.0462","","","0.108","0.1353","","","","","","1.015","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119664","12.3564","0.0007","17.9168","0.001","20.0188","0.0011","90","","105.379","0.002","90","","4273.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SiHP2)Cu(CbztBu)","","","- C45 H64 Cu N P2 Si -","- C45 H64 Cu N P2 Si -","- C180 H256 Cu4 N4 P8 Si4 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.1206","0.0728","","","0.1572","0.1866","","","","","","1.025","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119665","9.1187","0.0005","16.0444","0.0009","18.4747","0.001","90","","96.569","0.0018","90","","2685.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SiHP2)CuCl","","","- C25 H40 Cl Cu P2 Si -","- C25 H40 Cl Cu P2 Si -","- C100 H160 Cl4 Cu4 P8 Si4 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0432","0.0337","","","0.0803","0.086","","","","","","1.03","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119666","13.035","0.0011","18.3622","0.0013","17.9391","0.0015","90","","97.764","0.002","90","","4254.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPMeP)Cu(CbztBu)","","","- C45 H63 Cu N P3 -","- C45 H63 Cu N P3 -","- C180 H252 Cu4 N4 P12 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.1323","0.0579","","","0.1087","0.1343","","","","","","1.032","","","","has coordinates,has disorder","193676","2020-10-21","18:00:00",""
"7119667","10.844","0.003","20.403","0.006","17.005","0.005","90","","94.838","0.005","90","","3749","1.9","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 F3 N3 O4 P Pd S -","- C32 H49 F3 N3 O4 P Pd S -","- C128 H196 F12 N12 O16 P4 Pd4 S4 -","4","1","","Tao, W.; Akita, S.; Nakano, R.; Ito, S.; Hoshimoto, Y.; Ogoshi, S.; Nozaki, K.","Copolymerisation of ethylene with polar monomers by using palladium catalysts bearing an N-heterocyclic carbene-phosphine oxide bidentate ligand.","Chemical communications (Cambridge, England)","2017","53","17","2630","2633","10.1039/c7cc00002b","","","0.71075","MoKα","","0.0743","0.0651","","","0.1425","0.1478","","","","","","1.124","","","","has coordinates,has disorder","193673","2020-10-21","18:00:00",""
"7119668","10.179","0.003","22.751","0.008","16.348","0.006","90","","90.349","0.006","90","","3786","2","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 F6 N3 O P Pd Sb -","- C35 H51 F6 N3 O P Pd Sb -","- C140 H204 F24 N12 O4 P4 Pd4 Sb4 -","4","1","","Tao, W.; Akita, S.; Nakano, R.; Ito, S.; Hoshimoto, Y.; Ogoshi, S.; Nozaki, K.","Copolymerisation of ethylene with polar monomers by using palladium catalysts bearing an N-heterocyclic carbene-phosphine oxide bidentate ligand.","Chemical communications (Cambridge, England)","2017","53","17","2630","2633","10.1039/c7cc00002b","","","0.71075","MoKα","","0.0573","0.0447","","","0.0819","0.0869","","","","","","1.067","","","","has coordinates","193673","2020-10-21","18:00:00",""
"7119669","6.27417","0.00014","21.9593","0.0005","12.6125","0.0003","90","","96.237","0.002","90","","1727.42","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C72 H84 B4 N12 O8 -","2","0.5","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0473","0.0413","","","0.1018","0.107","","","","","","1.067","","","","has coordinates","192106","2020-10-21","18:00:00",""
"7119670","26.009","0.0003","6.56488","0.00009","20.4434","0.0003","90","","90","","90","","3490.63","0.08","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C144 H168 B8 N24 O16 -","4","1","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0423","0.0404","","","0.1026","0.1046","","","","","","1.035","","","","has coordinates","192106","2020-10-21","18:00:00",""
"7119671","16.3223","0.0005","12.4005","0.0004","17.5981","0.0005","90","","103.806","0.003","90","","3459.03","0.19","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C144 H168 B8 N24 O16 -","4","0.5","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0489","0.0393","","","0.0947","0.1023","","","","","","1.031","","","","has coordinates,has disorder","192106","2020-10-21","18:00:00",""
"7119672","10.7117","0.0007","14.7122","0.001","16.4804","0.0011","96.836","0.001","94.98","0.001","109.659","0.001","2406","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H69 Cl9 F12 Ir2 N10 P2 -","- C91 H69 Cl9 F12 Ir2 N10 P2 -","- C91 H69 Cl9 F12 Ir2 N10 P2 -","1","0.5","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Mingzhu; Luo, Lei; Wu, Jieying; Zhou, Hongping; Guan, Lijuan; Battaglia, Giuseppe; Tian, Yupeng","Localization matters: a nuclear targeting two-photon absorption iridium complex in photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","23","3303","3306","10.1039/c6cc09470h","","","0.71073","MoKα","","0.0404","0.0365","","","0.1087","0.1125","","","","","","1.067","","","","has coordinates","194979","2020-10-21","18:00:00",""
"7119673","8.934","0.004","9.067","0.005","14.698","0.007","90","","90","","90","","1190.6","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H Cu N7 -","- C3 H Cu N7 -","- C24 H8 Cu8 N56 -","8","1","","Zhang, Yinli; Zhang, Sheng; Sun, Lin; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","A solvent-free dense energetic metal-organic framework (EMOF): to improve stability and energetic performance via in situ microcalorimetry.","Chemical communications (Cambridge, England)","2017","53","21","3034","3037","10.1039/c7cc00545h","","","0.71073","MoKα","","0.0823","0.0446","","","0.1101","0.136","","","","","","0.803","","","","has coordinates","194987","2020-10-21","18:00:00",""
"7119674","12.5074","0.0004","17.8257","0.0006","20.7658","0.0007","90","","97.938","0.001","90","","4585.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N10 O16 -","- C38 H30 Cu2 N10 O16 -","- C152 H120 Cu8 N40 O64 -","4","1","","Liu, Chengyu; Lei, Haitao; Zhang, Zongyao; Chen, Fangfang; Cao, Rui","Oxygen reduction catalyzed by a water-soluble binuclear copper(ii) complex from a neutral aqueous solution.","Chemical communications (Cambridge, England)","2017","53","22","3189","3192","10.1039/c6cc09206c","","","0.71073","MoKα","","0.0723","0.0505","","","0.1347","0.1472","","","","","","1.05","","","","has coordinates","194944","2020-10-21","18:00:00",""
"7119683","13.002","0.0003","18.8143","0.0003","17.6588","0.0004","90","","110.919","0.002","90","","4035.03","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Ir N6 O2 -","- C50 H49 Ir N6 O2 -","- C200 H196 Ir4 N24 O8 -","4","1","","Osiak, Jaroslaw G.; Setzer, Tobias; Jones, Peter G.; Lennartz, Christian; Dreuw, Andreas; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Twist it! The acid-dependent isomerization of homoleptic carbenic iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","23","3295","3298","10.1039/c7cc00697g","","","0.71073","MoKα","","0.0341","0.027","","","0.0563","0.0585","","","","","","1.149","","","","has coordinates","194980","2020-10-21","18:00:00",""
"7119684","20.9475","0.0004","12.09289","0.00017","20.1184","0.0004","90","","106.36","0.002","90","","4889.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H53 Ir N3 O -","- C64 H53 Ir N6 O -","- C256 H212 Ir4 N24 O4 -","4","1","","Osiak, Jaroslaw G.; Setzer, Tobias; Jones, Peter G.; Lennartz, Christian; Dreuw, Andreas; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Twist it! The acid-dependent isomerization of homoleptic carbenic iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","23","3295","3298","10.1039/c7cc00697g","","","0.71073","MoKα","","0.0334","0.0263","","","0.0557","0.0582","","","","","","1.081","","","","has coordinates,has disorder","194980","2020-10-21","18:00:00",""
"7119685","13.7534","0.0004","19.6098","0.0006","27.014","0.0005","95.925","0.002","93.542","0.002","94.992","0.003","7200.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.67 H50.33 Ir N6 O0.67 -","- C62.6667 H50.3333 Ir N6 O0.666667 -","- C376 H302 Ir6 N36 O4 -","6","3","","Osiak, Jaroslaw G.; Setzer, Tobias; Jones, Peter G.; Lennartz, Christian; Dreuw, Andreas; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Twist it! The acid-dependent isomerization of homoleptic carbenic iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","23","3295","3298","10.1039/c7cc00697g","","","0.71073","MoKα","","0.0626","0.043","","","0.093","0.1035","","","","","","1.049","","","","has coordinates","194980","2020-10-21","18:00:00",""
"7119686","5.732","0.008","18.45","0.02","18.87","0.03","90","","90","0.02","90","","1996","5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O S -","- C21 H27 N O S -","- C84 H108 N4 O4 S4 -","4","2","","Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.","Chemical communications (Cambridge, England)","2017","53","25","3520","3523","10.1039/c7cc00108h","","","0.71073","MoKα","","0.138","0.0631","","","0.1499","0.1842","","","","","","0.902","","","","has coordinates","194972","2020-10-21","18:00:00",""
"7119687","19.5766","0.0015","8.3899","0.0007","9.3442","0.0007","90","","90","","90","","1534.7","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","1","","Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.","Chemical communications (Cambridge, England)","2017","53","25","3520","3523","10.1039/c7cc00108h","","","1.54178","CuKα","","0.0321","0.0303","","","0.0836","0.0848","","","","","","1.088","","","","has coordinates","194972","2020-10-21","18:00:00",""
"7119688","22.7096","0.001","30.714","0.0012","52.896","0.002","90","","90","","90","","36895","3","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C114 H108 Dy8 N48 O42 -","- C114 H108 Dy8 N48 O42 -","- C912 H864 Dy64 N384 O336 -","8","","","Li, Xiao-Lei; Wu, Jianfeng; Zhao, Lang; Shi, Wei; Cheng, Peng; Tang, Jinkui","End-to-end azido-pinned interlocking lanthanide squares.","Chemical communications (Cambridge, England)","2017","53","21","3026","3029","10.1039/c7cc00048k","","","0.71073","MoKα","","0.0789","0.0604","","","0.1952","0.2257","","","","","","1.005","","","","has coordinates,has disorder","194988","2020-10-21","18:00:00",""
"7119689","12.3342","0.0003","14.2207","0.0004","28.9433","0.0008","79.409","0.002","86.348","0.002","75.665","0.001","4833.9","0.2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H77 N2 P2 Ti -","- C50 H77 N2 P2 Ti -","- C200 H308 N8 P8 Ti4 -","4","2","","Grant, Lauren N.; Ahn, Seihwan; Manor, Brian C.; Baik, Mu-Hyun; Mindiola, Daniel J.","Structural elucidation of a mononuclear titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3415","3417","10.1039/c7cc00654c","","","0.71073","MoKα","","0.0814","0.0575","","","0.148","0.1585","","","","","","1.044","","","","has coordinates","194936","2020-10-21","18:00:00",""
"7119690","15.3286","0.0007","12.3358","0.0005","22.4869","0.0011","90","","95.728","0.002","90","","4230.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H64 N2 P2 Ti -","- C45 H64 N2 P2 Ti -","- C180 H256 N8 P8 Ti4 -","4","0.5","","Grant, Lauren N.; Ahn, Seihwan; Manor, Brian C.; Baik, Mu-Hyun; Mindiola, Daniel J.","Structural elucidation of a mononuclear titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3415","3417","10.1039/c7cc00654c","","","0.71073","MoKα","","0.0484","0.0374","","","0.0891","0.0949","","","","","","1.058","","","","has coordinates","194936","2020-10-21","18:00:00",""
"7119691","24.178","0.002","6.638","0.0006","24.262","0.002","90","","99.235","0.005","90","","3843.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 Br2 N2 O4 S2 -","- C18 H14 Br2 N2 O4 S2 -","- C144 H112 Br16 N16 O32 S16 -","8","1","","Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki","Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.","Chemical communications (Cambridge, England)","2017","53","21","3122","3125","10.1039/c7cc00165g","","","0.71073","MoKα","","0.0374","0.026","","","0.0875","0.0994","","","","","","0.804","","","","has coordinates","194984","2020-10-21","18:00:00",""
"7119692","6.78","0.005","13.746","0.011","22.746","0.019","78.06","0.02","85.26","0.02","88.54","0.02","2067","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F6 N2 O4 S2 -","- C20 H14 F6 N2 O4 S2 -","- C80 H56 F24 N8 O16 S8 -","4","2","","Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki","Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.","Chemical communications (Cambridge, England)","2017","53","21","3122","3125","10.1039/c7cc00165g","","","0.71073","MoKα","","0.2736","0.0912","","","0.1769","0.2573","","","","","","0.914","","","","has coordinates","194984","2020-10-21","18:00:00",""
"7119693","16.5356","0.0013","7.3275","0.0004","11.8114","0.0009","90","","107.518","0.006","90","","1364.75","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-Trifluormethansulfonat-2-phenyl-1,3-benzoxazole","","- C14 H8 F3 N O4 S -","- C14 H8 F3 N O4 S -","- C56 H32 F12 N4 O16 S4 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Electrochemical synthesis of benzoxazoles from anilides - a new approach to employ amidyl radical intermediates.","Chemical communications (Cambridge, England)","2017","53","20","2974","2977","10.1039/c7cc00927e","","","0.71073","MoKα","","0.048","0.0338","","","0.0778","0.0843","","","","","","1.021","","","","has coordinates","194977","2020-10-21","18:00:00",""
"7119694","17.004","0.009","7.497","0.004","23.151","0.011","90","","90","","90","","2951","3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C128 H96 O16 S24 -","8","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0811","","","","0.2058","","","","","","0.981","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119695","50.816","0.018","3.9638","0.0013","11.696","0.004","90","","101.342","0.005","90","","2309.9","1.4","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 O5 S4 -","- C28 H18 O5 S4 -","- C112 H72 O20 S16 -","4","0.5","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0353","","","","0.0982","","","","","","0.996","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119696","29.418","0.016","6.652","0.004","13.84","0.008","90","","110.708","0.008","90","","2533","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cl O8 S4 -","- C28 H16 Cl O8 S4 -","- C112 H64 Cl4 O32 S16 -","4","0.5","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0784","","","","0.1675","","","","","","1.058","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119697","10.676","0.004","10.861","0.004","13.225","0.005","104.975","0.004","102.681","0.004","99.616","0.004","1403.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O2 S2 -","- C16 H12 O2 S2 -","- C64 H48 O8 S8 -","4","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0566","","","","0.1727","","","","","","1.076","","","","has coordinates,has disorder","194935","2020-10-21","18:00:00",""
"7119698","11.122","0.005","11.208","0.005","12.801","0.006","112.898","0.006","93.135","0.004","90.892","0.004","1466.6","1.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C64 H48 O8 S12 -","4","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0508","","","","0.1687","","","","","","1.084","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119699","15.1311","0.001","18.4016","0.0012","15.2549","0.001","90","","111.107","0.004","90","","3962.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 F3 N O3 P2 S Ti -","- C34 H58 F3 N O3 P2 S Ti -","- C136 H232 F12 N4 O12 P8 S4 Ti4 -","4","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A radical coupled pathway to a stable and terminally bound titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3412","3414","10.1039/c7cc00371d","","","0.71073","MoKα","","0.0995","0.0552","","","0.1337","0.1584","","","","","","1.025","","","","has coordinates,has disorder","194930","2020-10-21","18:00:00",""
"7119700","11.965","0.008","12.501","0.009","16.775","0.011","69.62","0.02","86.44","0.03","64.68","0.03","2115","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H70 N2 O P2 Ti -","- C37 H64 N2 O P2 Ti -","- C74 H128 N4 O2 P4 Ti2 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A radical coupled pathway to a stable and terminally bound titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3412","3414","10.1039/c7cc00371d","","","0.71073","MoKα","","0.0684","0.0479","","","0.1081","0.1174","","","","","","1.039","","","","has coordinates","194930","2020-10-21","18:00:00",""
"7119701","9.7421","0.0006","16.0093","0.0009","19.037","0.0011","90","","94.91","0.002","90","","2958.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diethyl 7,9-di-tert-butyl-4-(4-chlorophenyl)-8-oxospiro[4.5]deca-2,6,9-triene-1,1-dicarboxylate","","- C30 H36 Cl N0 O5 -","- C30 H36 Cl O5 -","- C120 H144 Cl4 O20 -","4","1","","Yuan, Zhenbo; Gai, Kuo; Wu, Youzhi; Wu, Jie; Lin, Aijun; Yao, Hequan","Tandem 1,6-addition/cyclization/vinylcyclopropane rearrangement at low temperature under metal-free conditions: an approach to spiro[4.5]cyclohexadienones.","Chemical communications (Cambridge, England)","2017","53","24","3485","3488","10.1039/c7cc00677b","","","0.71073","MoKα","","0.0969","0.0638","","","0.164","0.187","","","","","","1.028","","","","has coordinates","194932","2020-10-21","18:00:00",""
"7119702","12.654","0.003","21.405","0.005","11.307","0.003","90","","97.659","0.004","90","","3035.3","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 O5 -","- C32 H40 O5 -","- C128 H160 O20 -","4","1","","Yuan, Zhenbo; Gai, Kuo; Wu, Youzhi; Wu, Jie; Lin, Aijun; Yao, Hequan","Tandem 1,6-addition/cyclization/vinylcyclopropane rearrangement at low temperature under metal-free conditions: an approach to spiro[4.5]cyclohexadienones.","Chemical communications (Cambridge, England)","2017","53","24","3485","3488","10.1039/c7cc00677b","","","0.71073","MoKα","","0.0914","0.0622","","","0.1822","0.2143","","","","","","1.005","","","","has coordinates,has disorder","194932","2020-10-21","18:00:00",""
"7119703","5.9975","0.0011","15.485","0.003","18.46","0.003","90","","90","","90","","1714.4","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Huang, Daorui; Xu, Guangyang; Peng, Shiyong; Sun, Jiangtao","Gold-catalyzed highly regio- and enantioselective vinylcarbene insertion into O-H bonds of 2-pyridones.","Chemical communications (Cambridge, England)","2017","53","22","3197","3200","10.1039/c6cc10246h","","","0.71073","MoKα","","0.0669","0.0421","","","0.1131","0.1272","","","","","","1.049","","","","has coordinates","194945","2020-10-21","18:00:00",""
"7119704","5.8604","0.0013","8.2421","0.0017","17.962","0.004","100.255","0.005","93.59","0.005","97.437","0.005","843.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl2 N O3 -","- C17 H15 Cl2 N O3 -","- C34 H30 Cl4 N2 O6 -","2","1","","Huang, Daorui; Xu, Guangyang; Peng, Shiyong; Sun, Jiangtao","Gold-catalyzed highly regio- and enantioselective vinylcarbene insertion into O-H bonds of 2-pyridones.","Chemical communications (Cambridge, England)","2017","53","22","3197","3200","10.1039/c6cc10246h","","","0.71073","MoKα","","0.0965","0.0737","","","0.2266","0.262","","","","","","1.105","","","","has coordinates","194945","2020-10-21","18:00:00",""
"7119705","8.1374","0.0005","14.262","0.0009","16.0081","0.0012","90","","90","","90","","1857.8","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","170109_s3_zzw","","- C16 H25 Br O2 Si -","- C16 H25 Br O2 Si -","- C64 H100 Br4 O8 Si4 -","4","1","","Chu, Zhiwen; Wang, Kai; Gao, Lu; Song, Zhenlei","Chiral crotyl geminal bis(silane): a useful reagent for asymmetric Sakurai allylation by selective desilylation-enabled chirality transfer.","Chemical communications (Cambridge, England)","2017","53","21","3078","3081","10.1039/c7cc00632b","","x-ray","0.71073","MoKα","","0.1189","0.0536","","","0.0945","0.1184","","","","","","1.031","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7119706","16.2079","0.0018","17.833","0.002","11.6508","0.0012","90","","90","","90","","3367.5","0.6","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","compound1","","- C62 H56 Mn5 N22 O8 -","- C62 H56 Mn5 N22 O8 -","- C124 H112 Mn10 N44 O16 -","2","0.25","","Hazra, Arpan; Jana, Saibal; Bonakala, Satyanarayana; Balasubramanian, Sundaram; Maji, Tapas Kumar","Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework.","Chemical communications (Cambridge, England)","2017","53","36","4907","4910","10.1039/c7cc00726d","","","0.71073","MoKα","","0.0604","0.0433","","","0.1238","0.1353","","","","","","1.033","","","","has coordinates","196286","2020-10-21","18:00:00",""
"7119707","16.039","0.005","17.851","0.004","11.558","0.003","90","","90","","90","","3309.2","1.5","408","2","408","2","","","","","","","","5","P b a m","-P 2 2ab","55","","compound1b","","- C62 H48 Mn5 N22 O4 -","- C62 H48 Mn5 N22 O4 -","- C124 H96 Mn10 N44 O8 -","2","0.25","","Hazra, Arpan; Jana, Saibal; Bonakala, Satyanarayana; Balasubramanian, Sundaram; Maji, Tapas Kumar","Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework.","Chemical communications (Cambridge, England)","2017","53","36","4907","4910","10.1039/c7cc00726d","","","0.71073","MoKα","","0.1379","0.1098","","","0.2647","0.2883","","","","","","0.935","","","","has coordinates","196286","2020-10-21","18:00:00",""
"7119708","17.7983","0.0007","17.7983","0.0007","32.0239","0.0018","90","","90","","120","","8785.4","0.7","293","2","293","2","","","","","","","","7","R 3","R 3","146","","str1788","","- C84.56 H83.22 Cl12.57 I1.8 N12 O2.95 Ru3 -","- C84.5599 H77.22 Cl12.57 I1.8 N12 O2.95 Ru3 -","- C253.68 H231.66 Cl37.71 I5.4 N36 O8.85 Ru9 -","3","","","Ibáñez, S; Poyatos, M.; Peris, E.","A D3h-symmetry hexaazatriphenylene-tris-N-heterocyclic carbene ligand and its coordination to iridium and gold: preliminary catalytic studies.","Chemical communications (Cambridge, England)","2017","53","26","3733","3736","10.1039/c7cc00525c","","","0.71073","MoKα","","0.0998","0.083","","","0.2163","0.2427","","","","","","1.028","","","","has coordinates","194954","2020-10-21","18:00:00",""
"7119709","11.434","0.005","14.581","0.005","18.23","0.005","90","","101.21","0.005","90","","2981.3","1.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Ir N3 O -","- C32 H23 Ir N3 O -","- C128 H92 Ir4 N12 O4 -","4","1","","Jiang, Yang; Li, Guangfu; Che, Weilong; Liu, Yingjie; Xu, Bin; Shan, Guogang; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","A neutral dinuclear Ir(iii) complex for anti-counterfeiting and data encryption.","Chemical communications (Cambridge, England)","2017","53","21","3022","3025","10.1039/c7cc00769h","","","0.71069","MoKα","","0.0522","0.028","","","0.0514","0.0609","","","","","","1.087","","","","has coordinates","194982","2020-10-21","18:00:00",""
"7119710","11.2912","0.0003","6.19457","0.00016","13.4697","0.0004","90","","96.023","0.003","90","","936.93","0.04","292.9","0.3","292.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Wang, Zhengmeng; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N'-dioxide-Sc(NTf2)3 complex-catalyzed asymmetric bromoamination of chalones with N-bromosuccinimide as both bromine and amide source.","Chemical communications (Cambridge, England)","2017","53","24","3462","3465","10.1039/c7cc00470b","","x-ray","0.71073","MoKα","","0.0431","0.0349","","","0.0757","0.08","","","","","","1.042","","","","has coordinates","194931","2020-10-21","18:00:00",""
"7119711","10.2651","0.0016","22.732","0.003","15.116","0.002","90","","100.724","0.006","90","","3465.7","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H49 N3 Sn -","- C39 H49 N3 Sn -","- C156 H196 N12 Sn4 -","4","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0601","0.0426","","","0.0672","0.0719","","","","","","0.977","","","","has coordinates","194983","2020-10-21","18:00:00",""
"7119712","30.2756","0.0012","11.6808","0.0005","17.9498","0.0007","90","","94.9769","0.0018","90","","6323.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 F3 N2 O3 S Sn -","- C31 H38 F3 N2 O3 S Sn -","- C248 H304 F24 N16 O24 S8 Sn8 -","8","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0497","0.032","","","0.0634","0.0697","","","","","","1.039","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119713","10.9016","0.0007","21.6336","0.0017","11.6083","0.0008","90","","90","","90","","2737.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N2 Pb -","- C30 H38 N2 Pb -","- C120 H152 N8 Pb4 -","4","0.5","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0429","0.0275","","","0.0571","0.0614","","","","","","1.019","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119714","11.2497","0.0008","22.1876","0.0018","13.7655","0.001","90","","93.6","0.003","90","","3429.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N3 Pb -","- C39 H49 N3 Pb -","- C156 H196 N12 Pb4 -","4","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.043","0.0263","","","0.0498","0.0535","","","","","","1.016","","","","has coordinates","194983","2020-10-21","18:00:00",""
"7119715","14.8076","0.0012","26.177","0.002","20.3861","0.0017","90","","92.81","0.004","90","","7892.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 N3 O Pb -","- C33 H47 N3 O Pb -","- C264 H376 N24 O8 Pb8 -","8","2","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.159","0.0663","","","0.1341","0.1673","","","","","","0.997","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119716","12.2316","0.0003","20.292","0.0006","19.8739","0.0006","90","","98.545","0.002","90","","4878","0.2","150.01","0.11","150.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Gd2 N2 O2 -","- C56 H68 Gd2 N2 O2 -","- C224 H272 Gd8 N8 O8 -","4","1","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0564","0.0365","","","0.0649","0.0724","","","","","","1.01","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119717","12.1568","0.0003","20.2075","0.0004","19.9643","0.0005","90","","98.553","0.002","90","","4849.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Dy2 N2 O2 -","- C56 H68 Dy2 N2 O2 -","- C224 H272 Dy8 N8 O8 -","4","1","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0456","0.0333","","","0.0627","0.0689","","","","","","1.042","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119718","12.3702","0.0004","13.1555","0.0004","13.7622","0.0004","80.063","0.003","76.644","0.003","81.14","0.003","2131.06","0.12","150.04","0.13","150.04","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C84 H124 Gd2 K N2 O9 -","- C84 H124 Gd2 K N2 O9 -","- C84 H124 Gd2 K N2 O9 -","1","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.053","0.0411","","","0.1077","0.12","","","","","","1.101","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119719","12.3721","0.0005","13.1967","0.0005","13.7762","0.0005","80.217","0.003","76.392","0.003","81.452","0.003","2140.41","0.15","150.04","0.18","150.04","0.18","","","","","","","","6","P -1","-P 1","2","","","","- C84 H124 Dy2 K N2 O9 -","- C84 H124 Dy2 K N2 O9 -","- C84 H124 Dy2 K N2 O9 -","1","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0563","0.0443","","","0.1205","0.1386","","","","","","1.133","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119720","16.6471","0.0013","11.6604","0.0004","26.166","0.002","90","","134.109","0.014","90","","3646.9","1","150.03","0.1","150.03","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Gd2 K2 N2 O7 -","- C76 H108 Gd2 K2 N2 O7 -","- C152 H216 Gd4 K4 N4 O14 -","2","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0458","0.0352","","","0.0673","0.0743","","","","","","1.054","","","","has coordinates,has disorder","194985","2020-10-21","18:00:00",""
"7119721","16.552","0.0013","11.6744","0.0004","25.961","0.002","90","","133.764","0.014","90","","3622.9","0.9","150.01","0.12","150.01","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Dy2 K2 N2 O7 -","- C76 H108 Dy2 K2 N2 O7 -","- C152 H216 Dy4 K4 N4 O14 -","2","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0492","0.0365","","","0.0732","0.0802","","","","","","1.037","","","","has coordinates,has disorder","194985","2020-10-21","18:00:00",""
"7119722","8.3209","0.0007","16.6734","0.0014","42.266","0.004","90","","90","","90","","5863.9","0.9","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 B Br2 N -","- C32 H34 B Br2 N -","- C256 H272 B8 Br16 N8 -","8","1","","Li, Sheng-Yong; Hui, Ya-Jun; Sun, Zuo-Bang; Zhao, Cui-Hua","A triarylborane-based biphenyl exhibiting abrupt fluorescence enhancement at a specific high temperature.","Chemical communications (Cambridge, England)","2017","53","24","3446","3449","10.1039/c6cc10088k","","","0.71","MoKα","","0.0893","0.0505","","","0.1072","0.1236","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119723","8.86824","0.00015","10.25459","0.00019","16.1386","0.0003","89.3079","0.0016","81.411","0.0016","84.4246","0.0014","1444.32","0.05","116","11","116","11","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O7 S3 -","- C30 H30 N2 O7 S3 -","- C60 H60 N4 O14 S6 -","2","1","","Li, Dengke; Mao, Tingting; Huang, Jinbo; Zhu, Qiang","Copper-catalyzed regioselective 1,2-thioamidation of alkenes.","Chemical communications (Cambridge, England)","2017","53","24","3450","3453","10.1039/c7cc00083a","","x-ray","1.54184","CuKα","","0.0474","0.0409","","","0.1035","0.1087","","","","","","1.038","","","","has coordinates","194937","2020-10-21","18:00:00",""
"7119724","14.388","0.003","6.6658","0.0013","14.112","0.003","90","","90","","90","","1353.4","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","I2-Promoted formal [3+2] cycloaddition of α-methylenyl isocyanides with methyl ketones: a route to 2,5-disubstituted oxazoles.","Chemical communications (Cambridge, England)","2017","53","24","3438","3441","10.1039/c6cc10275a","","","0.71073","MoKα","","0.1062","0.0755","","","0.2062","0.246","","","","","","1.011","","","","has coordinates,has disorder","194938","2020-10-21","18:00:00",""
"7119725","18.5004","0.0004","18.5004","0.0004","9.6325","0.0005","90","","90","","120","","2855.17","0.17","170","2","170","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C38 H47 N9 O3 -","- C38 H47 N9 O3 -","- C76 H94 N18 O6 -","2","0.333333","","Yan, Wenqing; Yu, Xiaopeng; Yan, Tao; Wu, Doufeng; Ning, Erlong; Qi, Yi; Han, Ying-Feng; Li, Qiaowei","A triptycene-based porous hydrogen-bonded organic framework for guest incorporation with tailored fitting.","Chemical communications (Cambridge, England)","2017","53","26","3677","3680","10.1039/c7cc00557a","","","1.54178","CuKα","","0.0645","0.063","","","0.1758","0.179","","","","","","1.069","","","","has coordinates","194965","2020-10-21","18:00:00",""
"7119726","9.8188","0.0009","12.2691","0.0011","13.2128","0.0012","90","","108.004","0.002","90","","1513.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O2 -","- C19 H13 Cl O2 -","- C76 H52 Cl4 O8 -","4","1","","Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.","Chemical communications (Cambridge, England)","2017","53","23","3369","3372","10.1039/c7cc00323d","","","0.71073","MoKα","","0.0916","0.0445","","","0.1037","0.127","","","","","","1.015","","","","has coordinates","194981","2020-10-21","18:00:00",""
"7119727","26.22","0.03","6.695","0.007","28.76","0.03","90","","115.874","0.016","90","","4543","9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl N O -","- C28 H24 Cl N O -","- C224 H192 Cl8 N8 O8 -","8","1","","Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.","Chemical communications (Cambridge, England)","2017","53","23","3369","3372","10.1039/c7cc00323d","","","0.71073","MoKα","","0.2084","0.0983","","","0.1883","0.2182","","","","","","1.054","","","","has coordinates","194981","2020-10-21","18:00:00",""
"7119728","10.3789","0.0009","11.1013","0.0009","14.0006","0.0012","95.621","0.001","103.538","0.002","117.117","0.003","1356.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N3 O -","- C33 H31 N3 O -","- C66 H62 N6 O2 -","2","1","","Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.","Chemical communications (Cambridge, England)","2017","53","23","3369","3372","10.1039/c7cc00323d","","","0.71073","MoKα","","0.1102","0.0522","","","0.0908","0.1007","","","","","","1.059","","","","has coordinates","194981","2020-10-21","18:00:00",""
"7119729","43.6763","0.001","14.1945","0.0004","7.9006","0.0002","90","","92.268","0.003","90","","4894.2","0.2","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cl N8 O3.5 Zn -","- C22 H26 Cl N8 O3.5 Zn -","- C176 H208 Cl8 N64 O28 Zn8 -","8","1","","Guski, S.; Albrecht, M.; Willms, T.; Albrecht, M.; Nabeshima, T.; Pan, F.; Puttreddy, R.; Rissanen, K.","Extended dipyrrin ligands: candidates for optical metal ion detection under competitive conditions.","Chemical communications (Cambridge, England)","2017","53","22","3213","3215","10.1039/c7cc00672a","","x-ray","0.71073","MoKα","","0.0928","0.0783","","","0.2415","0.2561","","","","","","1.077","","","","has coordinates,has disorder","206958","2020-10-21","18:00:00",""
"7119730","10.2846","0.0002","10.2846","0.0002","20.0277","0.0005","90","","90","","120","","1834.58","0.07","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H16 Er3 O19 -","- C24 H12 Er3 O19 -","- C48 H24 Er6 O38 -","2","0.166667","","Wei, Na; Zuo, Rong-Xia; Zhang, Yu-Yang; Han, Zheng-Bo; Gu, Xue-Jun","Robust high-connected rare-earth MOFs as efficient heterogeneous catalysts for CO2 conversion.","Chemical communications (Cambridge, England)","2017","53","22","3224","3227","10.1039/c7cc00363c","","","1.54184","CuKα","","0.0859","0.0781","","","0.2205","0.2266","","","","","","1.194","","","","has coordinates","194942","2020-10-21","18:00:00",""
"7119731","10.3534","0.0003","10.3534","0.0003","24.6485","0.0007","90","","90","","120","","2288.16","0.11","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C39 H22 Er3 O19 -","- C39 H18 Er3 O19 -","- C78 H36 Er6 O38 -","2","0.166667","","Wei, Na; Zuo, Rong-Xia; Zhang, Yu-Yang; Han, Zheng-Bo; Gu, Xue-Jun","Robust high-connected rare-earth MOFs as efficient heterogeneous catalysts for CO2 conversion.","Chemical communications (Cambridge, England)","2017","53","22","3224","3227","10.1039/c7cc00363c","","","1.54184","CuKα","","0.1149","0.1129","","","0.2642","0.2653","","","","","","1.129","","","","has coordinates","194942","2020-10-21","18:00:00",""
"7119732","18.832","0.003","3.8846","0.0006","20.977","0.003","90","","115.297","0.017","90","","1387.4","0.4","130","1","130","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Casula, Arianna; Llopis-Lorente, Antoni; Garau, Alessandra; Isaia, Francesco; Kubicki, Maciej; Lippolis, Vito; Sancenón, Félix; Martínez-Máñez, Ramón; Owczarzak, Agata; Santi, Claudio; Andrea Scorciapino, M.; Caltagirone, Claudia","A new class of silica-supported chromo-fluorogenic chemosensors for anion recognition based on a selenourea scaffold.","Chemical communications (Cambridge, England)","2017","53","26","3729","3732","10.1039/c7cc01214d","","x-ray","1.54184","CuKα","","0.0935","0.0742","","","0.1816","0.1972","","","","","","1.076","","","","has coordinates","194966","2020-10-21","18:00:00",""
"7119733","11.627","0.0003","12.8264","0.0003","17.739","0.0004","91.757","0.002","99.346","0.002","96.677","0.002","2589.33","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H25.5 Cl1.5 N3 O2 S -","- C29.4965 H25.4965 Cl1.4895 N3 O2 S -","- C117.986 H101.986 Cl5.958 N12 O8 S4 -","4","2","","Zeng, Zhongyi; Jin, Hongming; Song, Xinlong; Wang, Qian; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Gold-catalyzed intermolecular cyclocarboamination of ynamides with 1,3,5-triazinanes: en route to tetrahydropyrimidines.","Chemical communications (Cambridge, England)","2017","53","31","4304","4307","10.1039/c7cc00789b","","","1.54178","CuKα","","0.0627","0.0413","","","0.0992","0.1037","","","","","","0.896","","","","has coordinates,has disorder","196285","2020-10-21","18:00:00",""
"7119734","5.718","0.004","7.307","0.004","21.178","0.013","92.355","0.017","91.732","0.016","93.192","0.016","882.3","1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O4 S -","- C15 H24 N2 O4 S -","- C30 H48 N4 O8 S2 -","2","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.1164","0.0708","","","0.1841","0.2091","","","","","","1.028","","","","has coordinates","194978","2020-10-21","18:00:00",""
"7119735","5.324","0.0011","7.8906","0.0014","23.599","0.005","85.158","0.009","83.687","0.007","70.746","0.006","929","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Probenecid_4,4'-dipyridyl","","","- C18 H23 N2 O4 S -","- C18 H23 N2 O4 S -","- C36 H46 N4 O8 S2 -","2","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.0854","0.0579","","","0.143","0.1615","","","","","","1.029","","","","has coordinates,has disorder","194978","2020-10-21","18:00:00",""
"7119736","7.4752","0.0007","31.526","0.003","10.61","0.0009","90","","95.799","0.003","90","","2487.6","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C104 H112 N8 O16 S4 -","4","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.062","0.0419","","","0.1048","0.1166","","","","","","0.988","","","","has coordinates","194978","2020-10-21","18:00:00",""
"7119737","7.4241","0.0008","6.9988","0.0008","37.621","0.004","90","","94.21","0.004","90","","1949.5","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PROBENECID_PYRIDINE","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.1119","0.0876","","","0.2346","0.2566","","","","","","1.064","","","","has coordinates","194978","2020-10-21","18:00:00",""
"7119738","29.72","0.06","37.891","0.016","37.65","0.03","90","","90","","90","","42398","9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C132 H72 N36 O27 Zn6 -","- C132 H72 N36 O27 Zn6 -","- C528 H288 N144 O108 Zn24 -","4","0.5","","Li, Pei-Zhou; Su, Jie; Liang, Jie; Liu, Jia; Zhang, Yuanyuan; Chen, Hongzhong; Zhao, Yanli","A highly porous metal-organic framework for large organic molecule capture and chromatographic separation.","Chemical communications (Cambridge, England)","2017","53","24","3434","3437","10.1039/c7cc01063j","","","1.54178","CuKα","","0.0865","0.0692","","","0.2004","0.2172","","","","","","1.038","","","","has coordinates","194939","2020-10-21","18:00:00",""
"7119739","10.748","0.008","11.615","0.009","15.531","0.012","103.493","0.011","107.633","0.01","97.17","0.011","1756","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Al-HBPh3","","","- C37 H58 Al B N4 O2 -","- C37 H58 Al B N4 O2 -","- C74 H116 Al2 B2 N8 O4 -","2","1","","Mukherjee, Debabrata; Osseili, Hassan; Truong, Khai-Nghi; Spaniol, Thomas P.; Okuda, Jun","Ring-opening of cyclic ethers by aluminum hydridotriphenylborate.","Chemical communications (Cambridge, England)","2017","53","24","3493","3496","10.1039/c7cc01159h","","","0.71073","MoKα","","0.1335","0.0778","","","0.1795","0.2089","","","","","","1.025","","","","has coordinates","194940","2020-10-21","18:00:00",""
"7119740","9.8159","0.0018","10.726","0.002","13.269","0.002","87.579","0.004","75.801","0.003","83.365","0.003","1345.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","HO-AlBPh3","","","- C29 H42 Al B N4 -","- C29 H42 Al B N4 -","- C58 H84 Al2 B2 N8 -","2","1","","Mukherjee, Debabrata; Osseili, Hassan; Truong, Khai-Nghi; Spaniol, Thomas P.; Okuda, Jun","Ring-opening of cyclic ethers by aluminum hydridotriphenylborate.","Chemical communications (Cambridge, England)","2017","53","24","3493","3496","10.1039/c7cc01159h","","","0.71073","MoKα","","0.0793","0.0592","","","0.1361","0.1454","","","","","","1.035","","","","has coordinates","194940","2020-10-21","18:00:00",""
"7119741","18.165","0.003","10.8543","0.001","20.384","0.003","90","","109.934","0.017","90","","3778.3","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TpEDA","","","- C32 H48 N6 O10 S4 -","- C32 H48 N6 O10 S4 -","- C128 H192 N24 O40 S16 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","x-ray","0.71073","MoKα","","0.1434","0.1026","","","0.2777","0.3271","","","","","","1.034","","","","has coordinates","194967","2020-10-21","18:00:00",""
"7119742","14.666","0.002","14.666","0.002","12.2227","0.0015","90","","90","","120","","2276.8","0.5","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C42 H63 N9 O9 -","- C42 H63 N9 O9 -","- C84 H126 N18 O18 -","2","0.166667","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.2057","0.1063","","","0.2656","0.3536","","","","","","1.02","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7119743","10.866","0.0017","10.866","0.0017","43.37","0.03","90","","90","","120","","4435","3","298","2","298","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C62 H81 N12 O13 -","- C62 H81 N12 O13 -","- C186 H243 N36 O39 -","3","","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.1596","0.1098","","","0.2678","0.3043","","","","","","1.078","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7119744","22.752","0.004","12.9206","0.0016","11.2524","0.0013","90","","90","","90","","3307.9","0.8","298","2","298","2","","","","","","","","4","I m m b","-I 2a 2a","74","","","","- C27 H42 N6 O16 -","- C27 H42 N6 O16 -","- C108 H168 N24 O64 -","4","0.25","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","x-ray","1.54184","CuKα","","0.1641","0.1359","","","0.426","0.4806","","","","","","1.666","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7119745","10.4605","0.0008","20.3913","0.0013","14.1238","0.0008","90","","102.144","0.002","90","","2945.2","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O8 -","- C34 H28 O8 -","- C136 H112 O32 -","4","1","","Machida, Takashi; Taniguchi, Ryosuke; Oura, Tsuyoshi; Sada, Kazuki; Kokado, Kenta","Liquefaction-induced emission enhancement of tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2378","2381","10.1039/c6cc09939d","","","0.71075","MoKα","","0.1279","0.0626","","","0.163","0.23","","","","","","1.078","","","","has coordinates","193654","2020-10-21","18:00:00",""
"7119747","9.6317","0.0003","15.5277","0.0006","16.0905","0.0005","90","","92.4928","0.0012","90","","2404.19","0.14","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Machida, Takashi; Taniguchi, Ryosuke; Oura, Tsuyoshi; Sada, Kazuki; Kokado, Kenta","Liquefaction-induced emission enhancement of tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2378","2381","10.1039/c6cc09939d","","","0.71075","MoKα","","0.063","0.051","","","0.1073","0.113","","","","","","1.055","","","","has coordinates","193655","2020-10-21","18:00:00",""
"7119748","7.8148","0.0008","10.2559","0.0011","14.9546","0.0015","90","","101.525","0.003","90","","1174.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O -","- C13 H12 F3 N O -","- C52 H48 F12 N4 O4 -","4","1","","Borah, Arun Jyoti; Shi, Zhuangzhi","Palladium-catalyzed regioselective C-H fluoroalkylation of indoles at the C4-position.","Chemical communications (Cambridge, England)","2017","53","28","3945","","10.1039/c7cc01274h","","","0.71073","MoKα","","0.0499","0.0445","","","0.1177","0.1227","","","","","","1.035","","","","has coordinates","194921","2020-10-21","18:00:00",""
"7119749","12.249","0.002","23.638","0.005","22.255","0.005","90","","99.06","0.03","90","","6363","2","113","2","113.15","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C64 H59 B2 Cl2 F8 Fe N Ni O2 P4 S2 -","- C64 H59 B2 Cl2 F8 Fe N Ni O2 P4 S2 -","- C256 H236 B8 Cl8 F32 Fe4 N4 Ni4 O8 P16 S8 -","4","1","","Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng","Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.","Chemical communications (Cambridge, England)","2017","53","27","3818","3821","10.1039/c7cc00149e","","","0.71073","MoKα","","0.0476","0.0396","","","0.0902","0.0949","","","","","","1.062","","","","has coordinates,has disorder","194946","2020-10-21","18:00:00",""
"7119750","14.4664","0.0018","15.2948","0.0017","15.8846","0.0015","91.325","0.002","102.625","0.002","114.931","0.002","3083.6","0.6","113","","113","","","","","","","","","10","P -1","-P 1","2","","","","- C66 H65.5 B F4 Fe N Ni O2.5 P4 S2 -","- C66 H65.5 B F4 Fe N Ni O2.5 P4 S2 -","- C132 H131 B2 F8 Fe2 N2 Ni2 O5 P8 S4 -","2","1","","Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng","Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.","Chemical communications (Cambridge, England)","2017","53","27","3818","3821","10.1039/c7cc00149e","","","0.71073","MoKα","","0.0504","0.0421","","","0.0981","0.1053","","","","","","1.102","","","","has coordinates","194946","2020-10-21","18:00:00",""
"7119751","12.8843","0.0012","16.7478","0.0012","17.1899","0.0013","72.238","0.006","88.64","0.006","81.428","0.006","3492.1","0.5","113","","113","","","","","","","","","10","P -1","-P 1","2","","","","- C139 H147 B2 F8 Fe2 N2 Ni2 O9.5 P8 S4 -","- C139 H147 B2 F8 Fe2 N2 Ni2 O9.5 P8 S4 -","- C139 H147 B2 F8 Fe2 N2 Ni2 O9.5 P8 S4 -","1","0.5","","Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng","Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.","Chemical communications (Cambridge, England)","2017","53","27","3818","3821","10.1039/c7cc00149e","","","0.71073","MoKα","","0.0432","0.0378","","","0.113","0.1164","","","","","","1.06","","","","has coordinates,has disorder","194946","2020-10-21","18:00:00",""
"7119752","38.8511","0.0003","38.8511","0.0003","18.7521","0.0008","90","","90","","90","","28304.6","1.2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C105 H168 N22 O52 Zr6 -","- C57 H36 N6 O34 Zr6 -","- C456 H288 N48 O272 Zr48 -","8","0.5","","Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao","Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.","Chemical communications (Cambridge, England)","2017","53","28","3941","","10.1039/c7cc00029d","","","1.54178","CuKα","","0.0934","0.0494","","","0.1159","0.1422","","","","","","0.954","","","","has coordinates,has disorder","194923","2020-10-21","18:00:00",""
"7119753","38.9025","0.0007","38.9025","0.0007","18.9223","0.0011","90","","90","","90","","28637.1","1.8","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C104 H145 N19 O55 Zr6 -","- C74 H39 N9 O34 Zr6 -","- C592 H312 N72 O272 Zr48 -","8","0.5","","Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao","Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.","Chemical communications (Cambridge, England)","2017","53","28","3941","","10.1039/c7cc00029d","","x-ray","1.54184","CuKα","","0.0648","0.0558","","","0.1513","0.1611","","","","","","1.02","","","","has coordinates,has disorder","194923","2020-10-21","18:00:00",""
"7119754","11.8785","0.0007","16.1043","0.0011","27.3233","0.0016","90","","90","","90","","5226.8","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O4 -","- C29 H27 Br N2 O4 -","- C232 H216 Br8 N16 O32 -","8","1","","Xu, Jianfeng; Yuan, Shiru; Peng, Jingyi; Miao, Maozhong; Chen, Zhengkai; Ren, Hongjun","Enantioselective [2+2] annulation of simple aldehydes with isatin-derived ketimines via oxidative N-heterocyclic carbene catalysis.","Chemical communications (Cambridge, England)","2017","53","24","3430","3433","10.1039/c7cc01232b","","","0.71073","","","0.0841","0.0523","","","0.1084","0.1187","","","","","","1.082","","","","has coordinates","194933","2020-10-21","18:00:00",""
"7119755","5.721406","","5.721406","","9.298237","","90","","90","","90","","304.373","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Mg0.25 Mn0.5 O -","- Mg0.25025 Mn0.49975 O -","- Mg4.004 Mn7.996 O16 -","16","0.5","","Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.","Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content.","Chemical communications (Cambridge, England)","2017","53","26","3665","3668","10.1039/c7cc00265c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194959","2020-10-21","18:00:00",""
"7119756","5.753355","","5.753355","","9.132367","","90","","90","","90","","302.291","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Mg Mn2 O4 -","- Mg0.9996 Mn2.0004 O4 -","- Mg3.9984 Mn8.0016 O16 -","4","0.125","","Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.","Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content.","Chemical communications (Cambridge, England)","2017","53","26","3665","3668","10.1039/c7cc00265c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194959","2020-10-21","18:00:00",""
"7119757","14.779","0.008","15.437","0.008","17.69","0.009","92.382","0.007","109.532","0.006","112.414","0.0006","3449","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 4 3-aminobenzenesulfonate anion_ 8.5 H2O","","","- C62 H58 N14 O20.5 S4 -","- C62 H58 N14 O20.5 S4 -","- C124 H116 N28 O41 S8 -","2","1","","Wang, Cai-Ling; Zhou, Li; Zhang, Lei; Xiang, Jun-Feng; Rambo, Brett M.; Sessler, Jonathan L.; Gong, Han-Yuan","Discrete 1 : 1 complexes and higher order assemblies formed from aminobenzene sulphonate anions and a tetraimidazolium ""molecular box"".","Chemical communications (Cambridge, England)","2017","53","26","3669","3672","10.1039/c7cc01114h","","","0.71073","MoKα","","0.0883","0.0733","","","0.1677","0.1804","","","","","","1.025","","","","has coordinates,has disorder","194960","2020-10-21","18:00:00",""
"7119758","18.6425","0.0012","38.357","0.002","45.95","0.003","90","","91.491","0.001","90","","32846","3","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H108 Eu3 K3 N18 Nb48 O174 -","- C6 H36 Eu3 K3 N18 Nb48 O174 -","- C24 H144 Eu12 K12 N72 Nb192 O696 -","4","0.5","","Chen, Shumin; Ma, Pengtao; Luo, Huihui; Wang, Yangyang; Niu, Jingyang; Wang, Jingping","A luminescent polyoxoniobate lanthanide derivative {Eu3(H2O)9[Nb48O138(H2O)6]}(27-) .","Chemical communications (Cambridge, England)","2017","53","26","3709","3712","10.1039/c7cc00591a","","","0.71073","MoKα","","0.0934","0.0701","","","0.1842","0.2048","","","","","","1.072","","","","has coordinates,has disorder","194963","2020-10-21","18:00:00",""
"7119759","11.6508","0.0002","13.8642","0.0002","16.6288","0.0003","90","","90","","90","","2686.03","0.08","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C140 H116 N4 O12 -","4","1","","Zhou, Ji; Wang, Mao-Lin; Gao, Xiang; Jiang, Guo-Fang; Zhou, Yong-Gui","Bifunctional squaramide-catalyzed synthesis of chiral dihydrocoumarins via ortho-quinone methides generated from 2-(1-tosylalkyl)phenols.","Chemical communications (Cambridge, England)","2017","53","25","3531","3534","10.1039/c7cc01072a","","","1.54178","CuKα","","0.0503","0.0491","","","0.1252","0.1266","","","","","","1.049","","","","has coordinates","194970","2020-10-21","18:00:00",""
"7119760","17.93704","0.00009","30.59463","0.00014","18.10622","0.00009","90","","90","","90","","9936.28","0.08","100","2","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H42 F7 N O6 P3 S2 -","- C55 H42 F7 N O6 P3 S2 -","- C440 H336 F56 N8 O48 P24 S16 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0283","0.0269","","","0.0698","0.0708","","","","","","1.027","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119761","22.6503","0.0008","21.0918","0.0007","19.7027","0.0007","90","","98.32","0.001","90","","9313.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 F5 O4 P3 S -","- C56 H44 F5 O4 P3 S -","- C448 H352 F40 O32 P24 S8 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.0757","0.0472","","","0.1112","0.1272","","","","","","1.022","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119762","11.1377","0.0007","30.8211","0.0015","15.1641","0.0009","90","","99.058","0.002","90","","5140.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 F9 O9 P3 S3 -","- C52 H40 F9 O9 P3 S3 -","- C208 H160 F36 O36 P12 S12 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.1237","0.0796","","","0.1787","0.1997","","","","","","1.059","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119763","14.864","0.002","15.907","0.003","20.806","0.003","90","","104.742","0.008","90","","4757.5","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 F4 O3 P3 S -","- C56 H45 F4 O3 P3 S -","- C224 H180 F16 O12 P12 S4 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.0508","0.037","","","0.0871","0.0948","","","","","","1.018","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119764","19.27568","0.00007","19.40125","0.00007","30.8759","0.00013","90","","100.47","0.0004","90","","11354.5","0.08","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 F8 O7 P3 S2 -","- C63 H51 F8 O7 P3 S2 -","- C504 H408 F64 O56 P24 S16 -","8","2","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0379","0.0368","","","0.1034","0.1044","","","","","","1.028","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119765","15.8033","0.0011","19.1016","0.0011","19.2535","0.0013","90","","102.32","0.004","90","","5678.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61.36 H46.91 F10.45 O6 P3 S2 -","- C61.362 H46.908 F10.454 O6 P3 S2 -","- C245.448 H187.632 F41.816 O24 P12 S8 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.104","0.0632","","","0.1608","0.1868","","","","","","1.032","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119766","13.3116","0.0002","21.2851","0.0003","19.4915","0.0003","90","","93.0535","0.0014","90","","5514.86","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H47.5 F7.5 N O6 P3 S3 -","- C61 H47.5 F7.5 N O6 P3 S3 -","- C244 H190 F30 N4 O24 P12 S12 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0996","0.0992","","","0.225","0.2252","","","","","","1.149","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119767","23.6628","0.0005","10.00738","0.00016","40.5816","0.0008","90","","108.008","0.002","90","","9139.1","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C216 H240 F144 N48 O120 S48 -","24","3","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0642","0.0603","","","0.1674","0.1735","","","","","","1.028","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119768","9.1678","0.0003","10.6276","0.0004","15.2706","0.0005","90","","94.576","0.002","90","","1483.1","0.09","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C36 H40 F24 N8 O20 S8 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.0308","0.0283","","","0.0698","0.0716","","","","","","1.056","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119769","25.738","0.008","5.4772","0.0017","15.984","0.005","90","","97.927","0.005","90","","2231.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br2 N2 O3 -","- C25 H20 Br2 N2 O3 -","- C100 H80 Br8 N8 O12 -","4","1","","Qian, Ping; Deng, Yu; Mei, Haibo; Han, Jianlin; Pan, Yi","Metal-free nitroxyl radical-mediated β-C(sp(3))-H amination of saturated ketones with heteroaryl halides: multiple roles of TEMPO.","Chemical communications (Cambridge, England)","2017","53","20","2958","2961","10.1039/c7cc00145b","","","0.71073","MoKα","","0.0709","0.0458","","","0.1419","0.1768","","","","","","1.096","","","","has coordinates","194067","2020-10-21","18:00:00",""
"7119770","18.2714","0.0004","9.6175","0.0002","22.3182","0.0005","90","","90","","90","","3921.87","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H38 N2 P2 Pt -","- C50 H38 N2 P2 Pt -","- C200 H152 N8 P8 Pt4 -","4","0.5","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0444","0.0218","","","0.0652","0.0827","","","","","","1.025","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119771","13.136","0.0007","24.1095","0.001","15.3736","0.0007","90","","95.944","0.002","90","","4842.7","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Cl2 Co N2 O P2 Pt -","- C50 H38 Cl2 Co N2 O P2 Pt -","- C200 H152 Cl8 Co4 N8 O4 P8 Pt4 -","4","1","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0819","0.0528","","","0.1309","0.1439","","","","","","1.015","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119772","9.5894","0.0003","9.6957","0.0004","24.172","0.0009","95.127","0.001","91.485","0.001","98.31","0.0011","2213.2","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Br2 Co N2 P2 Pt -","- C50 H38 Br2 Co N2 P2 Pt -","- C100 H76 Br4 Co2 N4 P4 Pt2 -","2","1","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0422","0.0326","","","0.0769","0.0811","","","","","","1.02","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119773","9.5502","0.0004","9.6247","0.0004","24.0632","0.0008","95.2473","0.001","91.686","0.001","98.524","0.0011","2176.16","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Cl2 N2 P2 Pt Zn -","- C50 H38 Cl2 N2 P2 Pt Zn -","- C100 H76 Cl4 N4 P4 Pt2 Zn2 -","2","1","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0509","0.0363","","","0.0797","0.085","","","","","","1.025","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119774","17.7964","0.0003","20.6944","0.0005","21.5845","0.0004","109.368","0.002","106.354","0.002","104.44","0.002","6660.2","0.3","150","10","150","10","","","","","","","","5","P -1","-P 1","2","","","","- C122 H137 Cl6 N3 O8 -","- C122 H137 Cl6 N3 O8 -","- C244 H274 Cl12 N6 O16 -","2","1","","Chen, Hong-Yu; Gou, Meng; Wang, Jiao-Bing","De novo endo-functionalized organic cages as cooperative multi-hydrogen-bond-donating catalysts.","Chemical communications (Cambridge, England)","2017","53","25","3524","3526","10.1039/c7cc00938k","","","1.54184","CuKα","","0.1054","0.096","","","0.3046","0.3294","","","","","","1.009","","","","has coordinates,has disorder","194975","2020-10-21","18:00:00",""
"7119775","19.5091","0.0012","19.9327","0.0012","26.1996","0.0016","90","","90","","90","","10188.2","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cu2 N4 O0 -","- C58 H58 Cu2 N4 -","- C464 H464 Cu16 N32 -","8","1","","Jin, Liqun; Hao, Wangfang; Xu, Jianeng; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Mo, Weimin; Hu, Xinquan","N-Heterocyclic carbene copper-catalyzed direct alkylation of terminal alkynes with non-activated alkyl triflates.","Chemical communications (Cambridge, England)","2017","53","29","4124","4127","10.1039/c7cc00891k","","","0.71073","MoKα","","0.2486","0.1987","","","0.3723","0.4024","","","","","","1.358","","","","has coordinates","196257","2020-10-21","18:00:00",""
"7119779","29.9341","0.0013","28.039","0.0013","7.9233","0.0004","90","","90","","90","","6650.2","0.5","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","SIFSIX-15-Cu-i","","- C40 H24 Cu F6 N4 Si -","- C40 H24 Cu F6 N4 Si -","- C160 H96 Cu4 F24 N16 Si4 -","4","0.25","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.1151","0.1026","","","0.2759","0.2877","","","","","","1.041","","","","has coordinates","194927","2020-10-21","18:00:00",""
"7119780","29.756","0.004","29","0.004","7.6262","0.0011","90","","90","","90","","6580.8","1.6","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C41 H24 F6 N4 O Si Zn -","- C41 H24 F6 N4 O Si Zn -","- C164 H96 F24 N16 O4 Si4 Zn4 -","4","0.25","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.1867","0.1558","","","0.3735","0.3922","","","","","","1.08","","","","has coordinates","194927","2020-10-21","18:00:00",""
"7119781","24.9961","0.0007","24.9961","0.0007","7.4414","0.0002","90","","90","","90","","4649.4","0.2","101","2","101","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C52 H16 F6 N4 O4 Si Zn -","- C52 H16 F6 N4 O4 Si Zn -","- C104 H32 F12 N8 O8 Si2 Zn2 -","2","0.0625","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.0784","0.074","","","0.1987","0.2024","","","","","","1.087","","","","has coordinates,has disorder","194927","2020-10-21","18:00:00",""
"7119782","10.9103","0.0002","12.8039","0.0003","12.816","0.0003","94.2055","0.0015","104.224","0.0014","112.073","0.0014","1580.65","0.06","150.15","","150","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H34 O2 Si -","- C42 H34 O2 Si -","- C84 H68 O4 Si2 -","2","2","","Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.","Chemical communications (Cambridge, England)","2017","53","26","3753","3756","10.1039/c7cc01070b","","x-ray","1.54187","CuKα","","0.0439","0.0373","","","0.0927","0.1058","","","","","","1.076","","","","has coordinates","194962","2020-10-21","18:00:00",""
"7119783","7.8733","0.0003","11.1819","0.0004","29.729","0.0011","90","","90","","90","","2617.3","0.17","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 O2 Si -","- C33 H32 O2 Si -","- C132 H128 O8 Si4 -","4","1","","Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.","Chemical communications (Cambridge, England)","2017","53","26","3753","3756","10.1039/c7cc01070b","","x-ray","0.71069","MoKα","","0.0404","0.0382","","","0.095","0.0969","","","","","","1.054","","","","has coordinates","194962","2020-10-21","18:00:00",""
"7119784","16.3947","0.0016","14.8749","0.001","26.532","0.004","90","","92.863","0.013","90","","6462.3","1.2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 N8 O9.5 Ru2 -","- C23 H23 Cl2 N8 O9.5 Ru2 -","- C184 H184 Cl16 N64 O76 Ru16 -","8","1","","Lopez, Sarah; Rondot, Laurianne; Cavazza, Christine; Iannello, Marina; Boeri-Erba, Elisabetta; Burzlaff, Nicolai; Strinitz, Frank; Jorge-Robin, Adeline; Marchi-Delapierre, Caroline; Ménage, Stéphane","Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme.","Chemical communications (Cambridge, England)","2017","53","25","3579","3582","10.1039/c6cc08873b","","x-ray","0.71073","MoKα","","0.104","0.0786","","","0.2055","0.2252","","","","","","1.361","","","","has coordinates,has disorder","194973","2020-10-21","18:00:00",""
"7119785","6.3044","0.0009","10.7952","0.0015","20.613","0.003","77.669","0.004","88.541","0.003","75.011","0.003","1323.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N O -","- C35 H29 N O -","- C70 H58 N2 O2 -","2","1","","Zhao, Yulei; Xu, Murong; Zheng, Zhong; Yuan, Yang; Li, Yanzhong","Tertiary amine self-catalyzed intramolecular Csp3-H functionalization with in situ generated allenes for the formation of 3-alkenyl indolines.","Chemical communications (Cambridge, England)","2017","53","26","3721","3724","10.1039/c7cc00005g","","","0.71073","MoKα","","0.0717","0.0476","","","0.117","0.1316","","","","","","1.018","","","","has coordinates","194968","2020-10-21","18:00:00",""
"7119786","15.534","0.005","9.382","0.003","3.6126","0.0012","90","","90","","90","","526.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","9H-purine","Purine","","- C5 H4 N4 -","- C5 H4 N4 -","- C20 H16 N16 -","4","1","","Ruggiero, Michael T.; Zeitler, J. Axel; Erba, Alessandro","Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine.","Chemical communications (Cambridge, England)","2017","53","26","3781","3784","10.1039/c7cc00509a","","","0.71073","MoKα","","0.0595","0.0406","","","0.081","0.0871","","","","","","1.037","","","","has coordinates","194969","2020-10-21","18:00:00",""
"7119787","8.39686","0.00015","21.2421","0.0004","23.0334","0.0005","90","","90.312","0.0007","90","","4108.34","0.14","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F8 I N O3 S2 -","- C15 H14 F8 I N O3 S2 -","- C120 H112 F64 I8 N8 O24 S16 -","8","2","","Das, Prajwalita; Takada, Masahiro; Matsuzaki, Kohei; Saito, Norimichi; Shibata, Norio","SF5-Pyridylaryl-λ(3)-iodonium salts and their utility as electrophilic reagents to access SF5-pyridine derivatives in the late-stage of synthesis.","Chemical communications (Cambridge, England)","2017","53","27","3850","3853","10.1039/c7cc01043e","","","0.71075","MoKα","","","0.0277","","","","0.0724","","","","","","1.062","","","","has coordinates","194952","2020-10-21","18:00:00",""
"7119788","8.0521","0.0016","10.418","0.002","10.027","0.002","90","","96.73","0.03","90","","835.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Cheng, Xing; Zhu, Lei; Lin, Meijun; Chen, Jianxin; Huang, Xueliang","Rapid access to cyclopentadiene derivatives through gold-catalyzed cycloisomerization of ynamides with cyclopropenes by preferential activation of alkenes over alkynes.","Chemical communications (Cambridge, England)","2017","53","26","3745","3748","10.1039/c7cc01368j","","","0.71073","MoKα","","0.0538","0.0396","","","0.0787","0.0844","","","","","","0.992","","","","has coordinates","194955","2020-10-21","18:00:00",""
"7119789","19.882","0.002","11.2489","0.0012","24.609","0.003","90","","111.666","0.005","90","","5115","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 F3 O12 S -","- C19 H31 F3 O12 S -","- C152 H248 F24 O96 S8 -","8","2","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1996","0.1276","","","0.3425","0.3736","","","","","","1.083","","","","has coordinates,has disorder","194926","2020-10-21","18:00:00",""
"7119790","11.8946","0.0003","17.0004","0.0005","21.7463","0.0008","90","","90","","90","","4397.4","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H31 N3 O9 -","- C18 H31 N3 O9 -","- C144 H248 N24 O72 -","8","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1172","0.0525","","","0.1234","0.1495","","","","","","1.021","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119791","11.056","0.0004","12.577","0.0004","17.1284","0.0005","90","","91.265","0.002","90","","2381.15","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 O12 S -","- C19 H34 O12 S -","- C76 H136 O48 S4 -","4","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0609","0.0381","","","0.0949","0.1045","","","","","","0.958","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119792","11.401","0.002","22.024","0.005","11.813","0.003","90","","90","","90","","2966.2","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H32 Cl3 F3 O12 S -","- C20 H32 Cl3 F3 O12 S -","- C80 H128 Cl12 F12 O48 S4 -","4","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1575","0.0773","","","0.1873","0.2287","","","","","","1.021","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119793","25.8732","0.0015","7.1173","0.0004","12.9798","0.0007","90","","116.77","0.002","90","","2134","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 O12 -","- C18 H32 O12 -","- C72 H128 O48 -","4","0.5","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0718","0.0463","","","0.1258","0.1393","","","","","","1.006","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119794","12.3487","0.0004","22.2829","0.0008","17.8108","0.0006","90","","105.944","0.002","90","","4712.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N6 O8 -","- C18 H30 N6 O8 -","- C144 H240 N48 O64 -","8","2","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1109","0.0515","","","0.1354","0.1681","","","","","","0.976","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119795","6.7657","0.0003","13.1376","0.0007","11.8254","0.0006","90","","106.583","0.002","90","","1007.38","0.09","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C18 H32 O10 -","- C18 H32 O10 -","- C36 H64 O20 -","2","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0698","0.0551","","","0.15","0.167","","","","","","1.045","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119796","17.375","0.002","16.966","0.002","43.501","0.005","90","","97.576","0.006","90","","12711","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 Cl3 F12 O28 S4 -","- C41 H61 Cl3 F12 O28 S4 -","- C328 H488 Cl24 F96 O224 S32 -","8","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.085","0.0719","","","0.1947","0.2106","","","","","","1.056","","","","has coordinates,has disorder","194926","2020-10-21","18:00:00",""
"7119797","15.1567","0.0002","8.3418","0.0001","8.6166","0.0001","90","","90","","90","","1089.43","0.02","130","0.1","130","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-dimethoxy-N-methylbenzothioamide","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0658","0.0659","","","","","","1.07","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119798","7.0891","0.0002","17.2751","0.0003","10.1191","0.0002","90","","106.161","0.002","90","","1190.26","0.05","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-ethyl-2,6-dimethoxybenzothioamide","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0359","0.0348","","","0.0951","0.0964","","","","","","1.073","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119799","10.198","0.0004","10.3995","0.0006","14.5146","0.0007","73.111","0.005","81.002","0.004","73.607","0.004","1408.41","0.13","130","","130","","","","","","","","","5","P -1","-P 1","2","","N-(tert-butyl)-2,6-dimethoxybenzothioamide","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C52 H76 N4 O8 S4 -","4","2","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0435","0.0363","","","0.0954","0.101","","","","","","1.039","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119800","7.7838","0.0002","13.8454","0.0005","14.3496","0.0005","76.51","0.003","76.082","0.003","83.06","0.002","1456.2","0.09","130","","130","","","","","","","","","6","P -1","-P 1","2","","N-(4-chlorophenyl)-2,6-dimethoxybenzothioamide","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","2","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","","1.54184","CuKα","","0.0337","0.0322","","","0.0829","0.0841","","","","","","1.052","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119801","13.0843","0.0002","12.4311","0.0002","17.6208","0.0002","90","","90","","90","","2866.06","0.07","129.95","0.11","129.95","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,6-dimethoxy-N-phenylbenzothioamide","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","","1.54184","CuKα","","0.0343","0.0298","","","0.0795","0.0842","","","","","","1.047","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119802","11.2091","0.0002","7.5923","0.0001","18.4855","0.0003","90","","90.543","0.002","90","","1573.1","0.04","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,6-dimethoxy-N-(4-(trifluoromethyl)phenyl)benzothioamide","","- C16 H14 F3 N O2 S -","- C16 H14 F3 N O2 S -","- C64 H56 F12 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0345","0.0327","","","0.0854","0.0874","","","","","","0.925","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119803","8.32","0.0006","8.941","0.0005","24.9526","0.0017","83.367","0.005","81.578","0.006","67.51","0.006","1692.9","0.2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H14 Cl N3 O3 S -","- C16.5 H14 Cl N3 O3 S -","- C66 H56 Cl4 N12 O12 S4 -","4","2","","Ren, Anni; Lu, Ping; Wang, Yanguang","Convenient preparation of 4-diazoisochroman-3-imines and 3-subsituted 3,5-dihydroisochromeno[3,4-d][1,2,3]triazoles.","Chemical communications (Cambridge, England)","2017","53","26","3769","3772","10.1039/c7cc00603a","","","0.71073","MoKα","","0.0912","0.058","","","0.1514","0.1815","","","","","","1.027","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119804","8.6016","0.0006","27.4748","0.0015","6.1928","0.0003","90","","90","","90","","1463.53","0.15","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H12 F3 N3 O -","- C17 H12 F3 N3 O -","- C68 H48 F12 N12 O4 -","4","1","","Ren, Anni; Lu, Ping; Wang, Yanguang","Convenient preparation of 4-diazoisochroman-3-imines and 3-subsituted 3,5-dihydroisochromeno[3,4-d][1,2,3]triazoles.","Chemical communications (Cambridge, England)","2017","53","26","3769","3772","10.1039/c7cc00603a","","","0.71073","MoKα","","0.0366","0.0331","","","0.0787","0.0812","","","","","","1.036","","","","has coordinates","194953","2020-10-21","18:00:00",""
"7119805","11.7393","0.0007","14.6701","0.0009","17.5396","0.0009","98.076","0.003","101.888","0.003","113.182","0.002","2633.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H28 Cl2 Eu F9 N2 O6 S10 -","- C45 H28 Cl2 Eu F9 N2 O6 S10 -","- C90 H56 Cl4 Eu2 F18 N4 O12 S20 -","2","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.1764","0.0907","","","0.2306","0.303","","","","","","0.948","","","","has coordinates","194971","2020-10-21","18:00:00",""
"7119806","11.8296","0.0017","14.604","0.003","17.549","0.003","97.487","0.008","102.277","0.007","113.599","0.007","2634.9","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H28 Cl2 Dy F9 N2 O6 S10 -","- C45 H28 Cl2 Dy F9 N2 O6 S10 -","- C90 H56 Cl4 Dy2 F18 N4 O12 S20 -","2","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.0859","0.0621","","","0.1666","0.1832","","","","","","1.038","","","","has coordinates","194971","2020-10-21","18:00:00",""
"7119807","11.9987","0.0032","26.1502","0.006","18.4103","0.0044","90","","92.8746","0.0098","90","","5769","2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H26 Dy F9 N2 O6 S10 -","- C44 H26 Dy F9 N2 O6 S10 -","- C176 H104 Dy4 F36 N8 O24 S40 -","4","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.2286","0.099","","","0.2523","0.3048","","","","","","0.82","","","","has coordinates,has disorder","194971","2020-10-21","18:00:00",""
"7119808","11.819","0.009","26.13","0.02","18.549","0.017","90","","93.28","0.03","90","","5719","8","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H26 F9 N2 O6 S10 Y -","- C44 H26 F9 N2 O6 S10 Y -","- C176 H104 F36 N8 O24 S40 Y4 -","4","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.229","0.0938","","","0.2395","0.2802","","","","","","0.862","","","","has coordinates,has disorder","194971","2020-10-21","18:00:00",""
"7119809","22.506","0.009","8.456","0.003","15.962","0.007","90","","90.729","0.01","90","","3037","2","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Te -","- C36 H44 Te -","- C144 H176 Te4 -","4","1","","Oyama, Tatsuya; Yang, Yu Seok; Matsuo, Kyohei; Yasuda, Takuma","Effects of chalcogen atom substitution on the optoelectronic and charge-transport properties in picene-type π-systems.","Chemical communications (Cambridge, England)","2017","53","27","3814","3817","10.1039/c7cc01292f","","","0.71075","MoKα","","0.1393","0.1291","","","0.3312","0.3415","","","","","","1.228","","","","has coordinates","194947","2020-10-21","18:00:00",""
"7119810","28.2464","0.0014","35.3404","0.0015","21.6242","0.001","90","","118.889","0.002","90","","18899.9","1.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","PgC3, DMF, Mg","C-propylpyrogallol[4]arene, dimethylforamide, magnesium","","- C252 H240 Mg24 N4 O120 -","- C252 H240 Mg24 N4 O120 -","- C504 H480 Mg48 N8 O240 -","2","0.25","","Zhang, Chen; Patil, Rahul S.; Li, Tao; Barnes, Charles L.; Atwood, Jerry L.","Self-assembly of magnesium-seamed hexameric pyrogallol[4]arene nanocapsules.","Chemical communications (Cambridge, England)","2017","53","31","4312","4314","10.1039/c7cc01208j","","","1.54178","CuKα","","0.1615","0.1374","","","0.4177","0.4657","","","","","","2.159","","","","has coordinates","196279","2020-10-21","18:00:00",""
"7119811","26.113","0.002","26.276","0.002","27.96","0.002","93.634","0.004","92.074","0.005","90.16","0.005","19133","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C250 H226 Mg24 N2 O120 -","- C250 H226 Mg24 N2 O120 -","- C500 H452 Mg48 N4 O240 -","2","1","","Zhang, Chen; Patil, Rahul S.; Li, Tao; Barnes, Charles L.; Atwood, Jerry L.","Self-assembly of magnesium-seamed hexameric pyrogallol[4]arene nanocapsules.","Chemical communications (Cambridge, England)","2017","53","31","4312","4314","10.1039/c7cc01208j","","","1.54178","CuKα","","0.2219","0.1726","","","0.4686","0.5144","","","","","","2.047","","","","has coordinates","196279","2020-10-21","18:00:00",""
"7119812","9.8899","0.0012","10.4071","0.0013","25.652","0.003","83.322","0.004","87.485","0.005","65.134","0.004","2379.2","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H58 Cl4 Co2 N9 O5 -","- C41 H58 Cl4 Co2 N9 O5 -","- C82 H116 Cl8 Co4 N18 O10 -","2","1","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.057","0.0467","","","0.1273","0.134","","","","","","1.042","","","","has coordinates,has disorder","196273","2020-10-21","18:00:00",""
"7119813","23.7294","0.0015","23.7294","0.0015","34.604","0.003","90","","90","","120","","16874","2","120","2","120","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C111 H111 B3 Co N9 Na O4 -","- C111 H111 B3 Co N9 Na O3.9999 -","- C666 H666 B18 Co6 N54 Na6 O23.9994 -","6","0.333333","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.0739","0.0604","","","0.1439","0.151","","","","","","1.066","","","","has coordinates","196273","2020-10-21","18:00:00",""
"7119814","23.889","0.002","17.3157","0.0015","13.5491","0.0013","90","","95.028","0.003","90","","5583.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Co I6 N9 O4 -","- C43 H61 Co I6 N9 O4 -","- C172 H244 Co4 I24 N36 O16 -","4","1","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.0823","0.0611","","","0.1165","0.1305","","","","","","1.147","","","","has coordinates","196273","2020-10-21","18:00:00",""
"7119815","9.4769","0.0002","24.0061","0.0004","21.6073","0.0003","90","","100.792","0.002","90","","4828.79","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H38 Eu N16 O2 -","- C60 H38 Eu N16 O2 -","- C240 H152 Eu4 N64 O8 -","4","1","","Liu, Wenbo; Pan, Houhe; Wang, Ziqian; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.","Chemical communications (Cambridge, England)","2017","53","26","3765","3768","10.1039/c7cc01279a","","","1.54178","CuKα","","0.045","0.0386","","","0.0997","0.1038","","","","","","1.02","","","","has coordinates","194961","2020-10-21","18:00:00",""
"7119816","9.2221","0.0002","20.0308","0.0003","22.9016","0.0004","90","","99.274","0.002","90","","4175.22","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H32 Eu N16 O -","- C53 H32 Eu N16 O -","- C212 H128 Eu4 N64 O4 -","4","1","","Liu, Wenbo; Pan, Houhe; Wang, Ziqian; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.","Chemical communications (Cambridge, England)","2017","53","26","3765","3768","10.1039/c7cc01279a","","","1.54178","CuKα","","0.0399","0.0338","","","0.0877","0.0915","","","","","","1.023","","","","has coordinates","194961","2020-10-21","18:00:00",""
"7119817","10.7312","0.0006","11.0728","0.0006","12.9937","0.0007","90","","90","","90","","1543.97","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br N2 O2 -","- C17 Br N2 O2 -","- C68 Br4 N8 O8 -","4","1","","Huang, Xiaoshan; Cong, Xuefeng; Mi, Pengbing; Bi, Xihe","Azomethine-isocyanide [3+2] cycloaddition to imidazoles promoted by silver and DBU.","Chemical communications (Cambridge, England)","2017","53","27","3858","3861","10.1039/c7cc00772h","","","0.71073","MoKα","","0.1658","0.1508","","","0.3735","0.3885","","","","","","2.748","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7119818","14.2993","0.0006","15.133","0.0007","15.1938","0.0009","117.3","0.005","95.635","0.004","111.286","0.004","2579.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H142 Cl4 Cu2 O34 Ti12 -","- C60 H142 Cl4 Cu2 O34 Ti12 -","- C60 H142 Cl4 Cu2 O34 Ti12 -","1","0.5","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","1.54178","CuKα","","0.0682","0.0497","","","0.136","0.1561","","","","","","1.02","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119819","14.632","0.003","15.107","0.003","21.839","0.004","91.04","0.03","91.22","0.03","93.17","0.03","4818","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H126 Cl6 Cu2 O32 Ti12 -","- C54 H126 Cl6 Cu2 O32 Ti12 -","- C108 H252 Cl12 Cu4 O64 Ti24 -","2","1","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","0.71073","MoKα","","0.1509","0.0791","","","0.1899","0.2465","","","","","","1.06","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119820","21.553","0.0004","21.6943","0.0003","21.4667","0.0003","90","","90.935","0.002","90","","10036","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Br6 Cu4 O32 Ti12 -","- C54 H126 Br6 Cu4 O32 Ti12 -","- C216 H504 Br24 Cu16 O128 Ti48 -","4","1","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","1.54178","CuKα","","0.1547","0.1197","","","0.3191","0.3517","","","","","","1.244","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119821","27.9309","0.0006","15.1805","0.0002","26.0787","0.0005","90","","109.756","0.002","90","","10406.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Cu5 I7 O32 Ti12 -","- C54 H126 Cu5 I7 O32 Ti12 -","- C216 H504 Cu20 I28 O128 Ti48 -","4","1","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","1.54178","CuKα","","0.1134","0.0793","","","0.2208","0.2577","","","","","","1.024","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119822","7.17006","0.00006","11.34032","0.0001","22.9044","0.0002","90","","90","","90","","1862.37","0.03","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, low-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C72 H40 N8 O16 S16 -","8","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.035","0.0349","","","0.0954","0.0954","","","","","","1.139","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119823","7.2037","0.00019","11.4142","0.0003","23.213","0.0007","90","","90","","90","","1908.68","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, low-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C72 H40 N8 O16 S16 -","8","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0506","0.0417","","","0.1017","0.1068","","","","","","1.055","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119824","7.99603","0.00012","10.0168","0.00013","11.32452","0.00015","90","","90","","90","","907.03","0.02","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, high-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C36 H20 N4 O8 S8 -","4","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0229","0.0228","","","0.0625","0.0625","","","","","","1.073","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119825","8.23838","0.00012","10.03744","0.00012","11.30577","0.00014","90","","90","","90","","934.9","0.02","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, high-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C36 H20 N4 O8 S8 -","4","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0304","0.0299","","","0.0801","0.0808","","","","","","1.064","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119834","8.9286","0.0013","12.87","0.0011","17.609","0.0015","87.421","0.007","81.658","0.009","86.987","0.009","1997.9","0.4","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H29 N -","- C26 H29 N -","- C104 H116 N4 -","4","2","","Zhou, Jing; Qiu, Youai; Li, Junzhao; Fu, Chunling; Zhang, Xue; Ma, Shengming","PtCl4-catalyzed skeleton rearrangement-cyclization of tertiary indolyl-3-alkynols.","Chemical communications (Cambridge, England)","2017","53","34","4722","4725","10.1039/c7cc00352h","","","0.71073","MoKα","","0.1312","0.0993","","","0.3233","0.3412","","","","","","1.133","","","","has coordinates","196303","2020-10-21","18:00:00",""
"7119835","8.7284","0.0014","10.1708","0.0012","21.323","0.004","90","","93.076","0.016","90","","1890.2","0.5","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Zhou, Jing; Qiu, Youai; Li, Junzhao; Fu, Chunling; Zhang, Xue; Ma, Shengming","PtCl4-catalyzed skeleton rearrangement-cyclization of tertiary indolyl-3-alkynols.","Chemical communications (Cambridge, England)","2017","53","34","4722","4725","10.1039/c7cc00352h","","","0.71073","MoKα","","0.0955","0.0644","","","0.1609","0.1857","","","","","","1.031","","","","has coordinates","196303","2020-10-21","18:00:00",""
"7119836","11.2888","0.0004","12.3949","0.0004","19.3","0.0005","90","","90","","90","","2700.52","0.15","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N3 O7 -","- C27 H33 N3 O7 -","- C108 H132 N12 O28 -","4","1","","Ma, Baiwei; Luo, Weiwei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed asymmetric formal [3+2] cycloaddition for the synthesis of 1,2,4-triazolines.","Chemical communications (Cambridge, England)","2017","53","29","4077","4079","10.1039/c7cc01278k","","","1.54184","CuKα","","0.051","0.0489","","","0.131","0.135","","","","","","1.044","","","","has coordinates","196260","2020-10-21","18:00:00",""
"7119838","8.1874","0.0004","22.8006","0.0008","13.6393","0.0006","90","","91.001","0.002","90","","2545.76","0.19","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br N O5 S -","- C28 H26 Br N O5 S -","- C112 H104 Br4 N4 O20 S4 -","4","1","","Zhang, Qinglong; Zhu, Yannan; Jin, Hongxing; Huang, You","A phosphine mediated sequential annulation process of 2-tosylaminochalcones with MBH carbonates to construct functionalized aza-benzobicyclo[4.3.0] derivatives.","Chemical communications (Cambridge, England)","2017","53","28","3974","","10.1039/c6cc10155k","","","0.71073","MoKα","","0.0455","0.0302","","","0.0788","0.0908","","","","","","1.083","","","","has coordinates","194922","2020-10-21","18:00:00",""
"7119839","9.1267","0.0018","10.848","0.002","24.209","0.005","90","","90.86","0.03","90","","2396.6","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","1","","Zhang, Qinglong; Zhu, Yannan; Jin, Hongxing; Huang, You","A phosphine mediated sequential annulation process of 2-tosylaminochalcones with MBH carbonates to construct functionalized aza-benzobicyclo[4.3.0] derivatives.","Chemical communications (Cambridge, England)","2017","53","28","3974","","10.1039/c6cc10155k","","","0.71073","MoKα","","0.0863","0.0634","","","0.1419","0.1573","","","","","","1.058","","","","has coordinates","194922","2020-10-21","18:00:00",""
"7119840","18.3227","0.0007","21.8362","0.0009","11.4317","0.0005","90","","90","","90","","4573.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37 H23 Dy F24 N2 O8 -","- C37 H23 Dy F24 N2 O8 -","- C148 H92 Dy4 F96 N8 O32 -","4","1","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0867","0.0358","","","0.0647","0.0764","","","","","","1.053","","","","has coordinates,has disorder","194924","2020-10-21","18:00:00",""
"7119841","18.3282","0.0009","21.8066","0.0009","11.4128","0.0005","90","","90","","90","","4561.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37 H23 Dy F24 N2 O8 -","- C37 H23 Dy F24 N2 O8 -","- C148 H92 Dy4 F96 N8 O32 -","4","1","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0938","0.0375","","","0.058","0.0698","","","","","","1.044","","","","has coordinates,has disorder","194924","2020-10-21","18:00:00",""
"7119842","12.3044","0.0004","13.4038","0.0003","13.5784","0.0003","79.486","0.002","65.17","0.003","88.284","0.002","1995.55","0.1","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H21 Dy F18 N2 O6 -","- C32 H21 Dy F18 N2 O6 -","- C64 H42 Dy2 F36 N4 O12 -","2","2","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0509","0.0491","","","0.0999","0.1003","","","","","","1.02","","","","has coordinates","194924","2020-10-21","18:00:00",""
"7119843","12.2833","0.0003","13.394","0.0005","13.5543","0.0004","79.609","0.002","65.17","0.003","88.439","0.002","1987.71","0.12","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H21 Dy F18 N2 O6 -","- C32 H21 Dy F18 N2 O6 -","- C64 H42 Dy2 F36 N4 O12 -","2","2","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0417","0.0389","","","0.0847","0.0851","","","","","","1.066","","","","has coordinates","194924","2020-10-21","18:00:00",""
"7119844","7.4674","0.0002","10.9703","0.0003","13.9309","0.0004","90","","90","","90","","1141.21","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C40 H56 N16 O24 -","4","1","","Tsanakopoulou, Maria; Xu, Jianfeng; Bond, Andrew D.; Sutherland, John D.","A new and potentially prebiotic α-cytidine derivative.","Chemical communications (Cambridge, England)","2017","53","23","3327","3329","10.1039/c7cc00693d","","","1.54178","CuKα","","0.0277","0.0263","","","0.0679","0.0693","","","","","","1.082","","","","has coordinates","194308","2020-10-21","18:00:00",""
"7119845","18.1253","0.0007","18.1253","0.0007","29.8697","0.0014","90","","90","","120","","8498.3","0.6","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","[(L2)~12~Cu^I^~5~Cu^II^~11~(μ~4~-S)(μ~4~-O)~6~][ClO~4~]^.^4H~2~O","","","- C96 H120 Cl Cu16 N12 O14 S25 -","- C96 H120 Cl Cu16 N12 O14 S25 -","- C192 H240 Cl2 Cu32 N24 O28 S50 -","2","0.333333","","Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.","Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.","Chemical communications (Cambridge, England)","2017","53","23","3334","3337","10.1039/c6cc08301c","","","1.0332","synchrotron","","0.1543","0.1258","","","0.3432","0.3727","","","","","","1.427","","","","has coordinates","194309","2020-10-21","18:00:00",""
"7119846","18.757","0.005","30.586","0.005","20.498","0.005","90","0.005","92.805","0.005","90","0.005","11746","5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C99.5 H87 Cl2 Cu8 N9 O9.5 S16 -","- C99.5 H87 Cl2 Cu8 N9 O9.5 S16 -","- C398 H348 Cl8 Cu32 N36 O38 S64 -","4","1","","Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.","Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.","Chemical communications (Cambridge, England)","2017","53","23","3334","3337","10.1039/c6cc08301c","","","0.71073","MoKα","","0.153","0.0842","","","0.2136","0.2496","","","","","","1.035","","","","has coordinates,has disorder","194309","2020-10-21","18:00:00",""
"7119847","11.387","0.003","23.226","0.006","20.986","0.006","90","","95.277","0.005","90","","5527","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 Cl3 N2 O7 P2 Ru -","- C64 H53 Cl3 N2 O7 P2 Ru -","- C256 H212 Cl12 N8 O28 P8 Ru4 -","4","1","","Ray, Ritwika; Chandra, Shubhadeep; Yadav, Vishal; Mondal, Prasenjit; Maiti, Debabrata; Lahiri, Goutam Kumar","Ligand controlled switchable selectivity in ruthenium catalyzed aerobic oxidation of primary amines.","Chemical communications (Cambridge, England)","2017","53","28","4006","","10.1039/c6cc10200j","","","0.7107","MoKα","","0.0988","0.0897","","","0.206","0.2127","","","","","","1.157","","","","has coordinates","194925","2020-10-21","18:00:00",""
"7119848","11.8945","0.0019","14.063","0.002","18.356","0.003","98.289","0.002","105.598","0.003","90.117","0.003","2923.8","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H55 Cl5 N2 O5 P2 Ru -","- C65 H55 Cl5 N2 O5 P2 Ru -","- C130 H110 Cl10 N4 O10 P4 Ru2 -","2","1","","Ray, Ritwika; Chandra, Shubhadeep; Yadav, Vishal; Mondal, Prasenjit; Maiti, Debabrata; Lahiri, Goutam Kumar","Ligand controlled switchable selectivity in ruthenium catalyzed aerobic oxidation of primary amines.","Chemical communications (Cambridge, England)","2017","53","28","4006","","10.1039/c6cc10200j","","","0.7107","MoKα","","0.1091","0.0738","","","0.1681","0.1946","","","","","","0.93","","","","has coordinates","194925","2020-10-21","18:00:00",""
"7119849","11.897","0.002","13.638","0.003","20.788","0.004","100.447","0.001","100.464","0.002","113.912","0.002","2907.6","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H47 Cl3 N4 O9 P2 Ru -","- C62 H47 Cl3 N4 O9 P2 Ru -","- C124 H94 Cl6 N8 O18 P4 Ru2 -","2","1","","Ray, Ritwika; Chandra, Shubhadeep; Yadav, Vishal; Mondal, Prasenjit; Maiti, Debabrata; Lahiri, Goutam Kumar","Ligand controlled switchable selectivity in ruthenium catalyzed aerobic oxidation of primary amines.","Chemical communications (Cambridge, England)","2017","53","28","4006","","10.1039/c6cc10200j","","","0.7107","MoKα","","0.0488","0.0453","","","0.1146","0.118","","","","","","0.956","","","","has coordinates","194925","2020-10-21","18:00:00",""
"7119850","9.11917","0.00016","10.6057","0.0002","16.5557","0.0003","80.646","0.0016","74.2931","0.0016","81.3448","0.0016","1511.31","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Ir O P2 -","- C31 H48 Ir O P2 -","- C62 H96 Ir2 O2 P4 -","2","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0367","0.0331","","","0.0748","0.0764","","","","","","1.088","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119851","17.9975","0.0003","16.9033","0.0003","19.9108","0.0003","90","","90","","90","","6057.21","0.17","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H46 F3 Ir O P2 -","- C31 H45 F3 Ir O P2 -","- C248 H360 F24 Ir8 O8 P16 -","8","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.06","0.0332","","","0.0708","0.0803","","","","","","1.004","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119852","9.3553","0.0003","10.586","0.0003","16.6571","0.0005","79.927","0.002","74.522","0.003","81.288","0.002","1555.73","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 F2 Ir O P2 -","- C31 H46 F2 Ir O P2 -","- C62 H92 F4 Ir2 O2 P4 -","2","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0185","0.0169","","","0.0408","0.0414","","","","","","1.05","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119853","18.0679","0.0003","16.8659","0.0003","19.8479","0.0003","90","","90","","90","","6048.28","0.17","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H48 F Ir O P2 -","- C31 H47 F Ir O P2 -","- C248 H376 F8 Ir8 O8 P16 -","8","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0715","0.0385","","","0.0812","0.0938","","","","","","1.001","","","","has coordinates,has disorder","194958","2020-10-21","18:00:00",""
"7119854","10.972","0.002","18.773","0.004","11.281","0.004","90","","102.904","0.003","90","","2264.9","1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C36 H64 N16 O16 -","- C36 H48 N16 O16 -","- C72 H96 N32 O32 -","2","0.25","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Zou, Lei; Wang, Qiaochun; Jiang, Xiaoqing; Liu, Jiansen; Tian, He","The smallest cucurbituril analogue with high affinity for Ag().","Chemical communications (Cambridge, England)","2017","53","29","4070","4072","10.1039/c7cc01729d","","","0.71073","MoKα","","0.1172","0.0816","","","0.2479","0.293","","","","","","1.061","","","","has coordinates","196259","2020-10-21","18:00:00",""
"7119855","12.207","0.004","21.254","0.006","22.602","0.007","90","","101.677","0.005","90","","5743","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 Ca2 Cl4 N16 O22 -","- C36 H48 Ca2 Cl4 N16 O22 -","- C144 H192 Ca8 Cl16 N64 O88 -","4","1","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Zou, Lei; Wang, Qiaochun; Jiang, Xiaoqing; Liu, Jiansen; Tian, He","The smallest cucurbituril analogue with high affinity for Ag().","Chemical communications (Cambridge, England)","2017","53","29","4070","4072","10.1039/c7cc01729d","","","0.71073","MoKα","","0.1591","0.0942","","","0.2427","0.2938","","","","","","1.018","","","","has coordinates","196259","2020-10-21","18:00:00",""
"7119856","11.472","0.003","16.667","0.004","20.525","0.005","95.2182","0.0017","98.218","0.003","107.846","0.004","3659.3","1.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H62 Cl8 N6 S6 -","- C80 H62 Cl8 N6 S6 -","- C160 H124 Cl16 N12 S12 -","2","1","","Higashino, Tomohiro; Kumagai, Atsushi; Imahori, Hiroshi","Thiophene-fused dithiaoctaphyrins: π-system switching between cross-conjugated and macrocyclic π-networks.","Chemical communications (Cambridge, England)","2017","53","37","5091","5094","10.1039/c7cc01273j","","","0.7107","MoKα","","0.1178","0.0921","","","0.2747","0.3047","","","","","","1.04","","","","has coordinates,has disorder","196266","2020-10-21","18:00:00",""
"7119857","11.382","0.004","13.964","0.005","27.457","0.009","90","","91.853","0.007","90","","4362","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 B F2 N2 O2 -","- C15 H17 B F2 N2 O2 -","- C180 H204 B12 F24 N24 O24 -","12","1.5","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","0.6999","Synchrotron","","0.1508","0.097","","","0.2446","0.2874","","","","","","0.993","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7119858","8.153","0.0019","17.336","0.003","17.063","0.005","90","","103.317","0.001","90","","2346.8","1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H25 B F2 N2 O2 -","- C27 H25 B F2 N2 O2 -","- C108 H100 B4 F8 N8 O8 -","4","1","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.0345","0.0307","","","0.0815","0.0838","","","","","","1.038","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7119859","11.592","0.004","29.363","0.009","15.588","0.005","90","","104.696","0.005","90","","5132","3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 B2 Cl F4 N5 O4 -","- C48 H76 B2 Cl F4 N5 O4 -","- C192 H304 B8 Cl4 F16 N20 O16 -","4","1","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.1545","0.107","","","0.2918","0.318","","","","","","1.047","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7119860","8.5862","0.0012","19.717","0.002","31.483","0.003","72.702","0.009","85.311","0.012","88.492","0.012","5071.8","1","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.46 H55 B Cl3.62 F2 N5 O2 -","- C57.4575 H55 B Cl3.617 F2 N5 O2 -","- C229.83 H220 B4 Cl14.468 F8 N20 O8 -","4","2","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.1508","0.0934","","","0.2549","0.2912","","","","","","1.012","","","","has coordinates,has disorder","194950","2020-10-21","18:00:00",""
"7119861","18.797","0.004","18.398","0.004","13.758","0.003","90","","90","","90","","4757.9","1.8","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H42 F12 N8 O4 P2 Pd2 -","- C40 H42 F12 N8 O4 P2 Pd2 -","- C160 H168 F48 N32 O16 P8 Pd8 -","4","0.5","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.71073","MoKα","","0.0377","0.0327","","","0.0892","0.0909","","","","","","1.061","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119862","25.0517","0.0012","32.2634","0.0014","35.368","0.002","108.968","0.001","101.156","0.002","108.363","0.001","24223","2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C256 H288 F72 Fe4 N64 O24 P12 Pd12 -","- C240 H240 F72 Fe4 N48 O24 P12 Pd12 -","- C480 H480 F144 Fe8 N96 O48 P24 Pd24 -","2","1","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.71073","MoKα","","0.0787","0.0408","","","0.1028","0.1124","","","","","","0.794","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119863","25.6021","0.0015","26.9162","0.0012","36.6641","0.0013","68.991","0.002","73.112","0.002","64.351","0.003","20985.3","1.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C292 H330 F72 Fe4 N62 O24 P12 Pd12 -","- C276 H306 F72 Fe4 N54 O24 P12 Pd12 -","- C552 H612 F144 Fe8 N108 O48 P24 Pd24 -","2","1","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.8001","Synchrotron","","0.0362","0.0324","","","0.077","0.0777","","","","","","0.953","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119864","16.456","0.013","6.808","0.005","15.922","0.013","90","","111.027","0.012","90","","1665","2","293","","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Hari Babu, Madala; Ranjith Kumar, Gadi; Kant, Ruchir; Sridhar Reddy, Maddi","Ni-Catalyzed regio- and stereoselective addition of arylboronic acids to terminal alkynes with a directing group tether.","Chemical communications (Cambridge, England)","2017","53","27","3894","3897","10.1039/c6cc10256e","","","0.71075","MoKα","","0.1297","0.0714","","","0.191","0.2478","","","","","","0.943","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119865","9.3404","0.001","11.2518","0.0011","16.982","0.002","90","","90","","90","","1784.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Wang, Shasha; Xiao, Junan; Li, Jun; Xiang, Haoyue; Wang, Chaoming; Chen, Xiaoqing; Carter, Rich G.; Yang, Hua","Discovery of temperature-dependent, autoinductive reversal of enantioselectivity: palladium-mediated [3+3]-annulation of 4-hydroxycoumarins.","Chemical communications (Cambridge, England)","2017","53","32","4441","4444","10.1039/c7cc01610g","","","0.71073","MoKα","","0.0385","0.0305","","","0.0686","0.0723","","","","","","1.022","","","","has coordinates","196268","2020-10-21","18:00:00",""
"7119866","9.3379","0.0002","11.253","0.0003","17.0022","0.0004","90","","90","","90","","1786.58","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Wang, Shasha; Xiao, Junan; Li, Jun; Xiang, Haoyue; Wang, Chaoming; Chen, Xiaoqing; Carter, Rich G.; Yang, Hua","Discovery of temperature-dependent, autoinductive reversal of enantioselectivity: palladium-mediated [3+3]-annulation of 4-hydroxycoumarins.","Chemical communications (Cambridge, England)","2017","53","32","4441","4444","10.1039/c7cc01610g","","","0.71073","MoKα","","0.0321","0.0279","","","0.0701","0.073","","","","","","0.983","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119867","9.2185","0.0009","9.7237","0.0009","12.7331","0.0012","83.1537","0.0013","71.5734","0.0013","86.3277","0.0012","1074.71","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","3,5-di-tert-butyl-2',3'-dimethylspiro[cyclohexane-1,5'-imidazo[2,1-a]isoindole]-2,5-dien-4-one","","- C25 H30 N2 O -","- C25 H30 N2 O -","- C50 H60 N4 O2 -","2","1","","Kobayashi, Yoichi; Mishima, Yasuhiro; Mutoh, Katsuya; Abe, Jiro","Highly durable photochromic radical complexes having no steric protections of radicals.","Chemical communications (Cambridge, England)","2017","53","31","4315","4318","10.1039/c7cc01439b","","","0.71073","MoKα","","0.0457","0.0403","","","0.1017","0.106","","","","","","1.02","","","","has coordinates","196277","2020-10-21","18:00:00",""
"7119868","15.6139","0.0012","15.7965","0.0013","29.712","0.002","90","","90","","90","","7328.3","1","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TMOF-2","","","- C56 H50 Cu2 N8 O13 S4 -","- C56 H48 Cu2 N8 O13 S4 -","- C224 H192 Cu8 N32 O52 S16 -","4","1","","Zhang, Guiyang; Fei, Honghan","Missing metal-linker connectivities in a 3-D robust sulfonate-based metal-organic framework for enhanced proton conductivity.","Chemical communications (Cambridge, England)","2017","53","29","4156","4159","10.1039/c7cc01461a","","","0.71073","MoKα","","0.0886","0.0623","","","0.1775","0.1904","","","","","","1.066","","","","has coordinates","196258","2020-10-21","18:00:00",""
"7119869","15.7175","0.0013","14.686","0.0013","16.9957","0.0013","90","","93.399","0.003","90","","3916.2","0.6","299.67","","299.67","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PEA)2(NCSe)2]","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, E.; Marchivie, M.; Daro, N.; Chastanet, G.; Guionneau, P.","Thermal spin-crossover with a large hysteresis spanning room temperature in a mononuclear complex.","Chemical communications (Cambridge, England)","2017","53","35","4763","4766","10.1039/c7cc01806a","","","0.71073","MoKα","","0.1075","0.0591","","","0.1377","0.1704","","","","","","1.035","","","","has coordinates","196301","2020-10-21","18:00:00",""
"7119870","14.444","0.005","14.705","0.004","17.595","0.004","90","","90","","90","","3737.2","1.9","230","","230","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[Fe(PM-PEA)2(NCSe)2]","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","0.5","","Tailleur, E.; Marchivie, M.; Daro, N.; Chastanet, G.; Guionneau, P.","Thermal spin-crossover with a large hysteresis spanning room temperature in a mononuclear complex.","Chemical communications (Cambridge, England)","2017","53","35","4763","4766","10.1039/c7cc01806a","","","0.71073","MoKα","","0.1117","0.0469","","","0.1005","0.1486","","","","","","1.168","","","","has coordinates","196301","2020-10-21","18:00:00",""
"7119871","20.731","0.001","10.6782","0.0005","14.3738","0.0007","90","","90","","90","","3181.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H50 B18 Mg O6 -","- C14 H50 B18 Mg O6 -","- C56 H200 B72 Mg4 O24 -","4","1","","McArthur, Scott G.; Jay, Rahul; Geng, Linxiao; Guo, Juchen; Lavallo, Vincent","Below the 12-vertex: 10-vertex carborane anions as non-corrosive, halide free, electrolytes for rechargeable Mg batteries.","Chemical communications (Cambridge, England)","2017","53","32","4453","4456","10.1039/c7cc01570d","","","0.71073","MoKα","","0.0425","0.0353","","","0.0811","0.0852","","","","","","1.02","","","","has coordinates","196269","2020-10-21","18:00:00",""
"7119872","6.0088","0.0001","14.488","0.0001","25.2409","0.0002","90","","90","","90","","2197.36","0.04","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Lepage, Romain J.; White, Jonathan M.; Coster, Mark J.","A bidirectional synthesis of spiroacetals via Rh(ii)-catalysed C-H insertion.","Chemical communications (Cambridge, England)","2017","53","30","4219","4221","10.1039/c7cc00459a","","","1.5418","CuKα","","0.0261","0.0259","","","0.0702","0.0703","","","","","","1.065","","","","has coordinates","196274","2020-10-21","18:00:00",""
"7119873","14.2813","0.0005","3.82559","0.00012","35.5238","0.0012","90","","95.705","0.007","90","","1931.21","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N2 S3 -","- C26 H14 N2 S3 -","- C104 H56 N8 S12 -","4","1","","Li, Ruiji; Nakashima, Takuya; Kawai, Tsuyoshi","A self-contained photoacid generator for super acid based on photochromic terarylene.","Chemical communications (Cambridge, England)","2017","53","31","4339","4341","10.1039/c7cc01635b","","","0.71075","MoKα","","0.0978","0.0576","","","0.1012","0.1135","","","","","","1.021","","","","has coordinates","196280","2020-10-21","18:00:00",""
"7119874","13.2024","0.0003","13.1341","0.0003","29.9533","0.0006","90","","94.445","0.007","90","","5178.3","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H34 Cl6 N2 O2 S6 -","- C56 H34 Cl6 N2 O2 S6 -","- C224 H136 Cl24 N8 O8 S24 -","4","1","","Li, Ruiji; Nakashima, Takuya; Kawai, Tsuyoshi","A self-contained photoacid generator for super acid based on photochromic terarylene.","Chemical communications (Cambridge, England)","2017","53","31","4339","4341","10.1039/c7cc01635b","","","0.71075","MoKα","","0.135","0.0906","","","0.2273","0.2542","","","","","","1.032","","","","has coordinates","196280","2020-10-21","18:00:00",""
"7119875","8.0146","0.0012","11.5764","0.0018","12.796","0.002","100.955","0.002","90.258","0.002","101.472","0.002","1141.2","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O7 -","- C27 H26 O7 -","- C54 H52 O14 -","2","1","","Yoshida, Taira; Mori, Keiji","Hf(OTf)4-Catalyzed highly diastereoselective synthesis of 1,3-disubstituted tetralin derivatives via benzylic C(sp(3))-H bond functionalization.","Chemical communications (Cambridge, England)","2017","53","31","4319","4322","10.1039/c7cc01717k","","","0.71073","MoKα","","0.088","0.0542","","","0.1195","0.1384","","","","","","1.04","","","","has coordinates","196283","2020-10-21","18:00:00",""
"7119876","10.3174","0.0013","19.294","0.002","9.0603","0.0011","90","","104.414","0.002","90","","1746.8","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Yoshida, Taira; Mori, Keiji","Hf(OTf)4-Catalyzed highly diastereoselective synthesis of 1,3-disubstituted tetralin derivatives via benzylic C(sp(3))-H bond functionalization.","Chemical communications (Cambridge, England)","2017","53","31","4319","4322","10.1039/c7cc01717k","","","0.71073","MoKα","","0.0554","0.0372","","","0.0849","0.0938","","","","","","1.065","","","","has coordinates","196283","2020-10-21","18:00:00",""
"7119877","11.5834","0.0015","13.5075","0.0018","20.031","0.003","90","","90","","90","","3134.1","0.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[(dbzbpen)Cu(OH2)](BF4)2","","- C29 H36 B2 Cu F8 N4 O2 -","- C29 H36 B2 Cu F8 N4 O2 -","- C116 H144 B8 Cu4 F32 N16 O8 -","4","1","","Shen, Junyu; Wang, Mei; Zhang, Peili; Jiang, Jian; Sun, Licheng","Electrocatalytic water oxidation by copper(ii) complexes containing a tetra- or pentadentate amine-pyridine ligand.","Chemical communications (Cambridge, England)","2017","53","31","4374","4377","10.1039/c7cc00332c","","","0.71073","MoKα","","0.0653","0.0605","","","0.1618","0.1655","","","","","","1.045","","","","has coordinates","196284","2020-10-21","18:00:00",""
"7119878","18.4892","0.0017","23.007","0.002","28.19","0.003","90","","105.363","0.004","90","","11563","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Cu6 N44 O76 Tb12 -","- C54 H54 Cu6 N44 O76 Tb12 -","- C108 H108 Cu12 N88 O152 Tb24 -","2","0.5","","Alexandropoulos, Dimitris I.; Poole, Katye M.; Cunha-Silva, Luis; Ahmad Sheikh, Javeed; Wernsdorfer, Wolfgang; Christou, George; Stamatatos, Theocharis C.","A family of 'windmill'-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes.","Chemical communications (Cambridge, England)","2017","53","30","4266","4269","10.1039/c7cc01382e","","","0.71073","MoKα","","0.0944","0.0736","","","0.1714","0.1913","","","","","","0.777","","","","has coordinates","196276","2020-10-21","18:00:00",""
"7119879","18.3651","0.0014","19.1074","0.0014","27.704","0.002","79.752","0.004","84.836","0.003","74.865","0.003","9225","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H254 Cu12 Gd24 N88 O158 -","- C132 H180 Cu12 Gd24 N88 O158 -","- C132 H180 Cu12 Gd24 N88 O158 -","1","0.5","","Alexandropoulos, Dimitris I.; Poole, Katye M.; Cunha-Silva, Luis; Ahmad Sheikh, Javeed; Wernsdorfer, Wolfgang; Christou, George; Stamatatos, Theocharis C.","A family of 'windmill'-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes.","Chemical communications (Cambridge, England)","2017","53","30","4266","4269","10.1039/c7cc01382e","","","0.71073","MoKα","","0.0812","0.0543","","","0.1169","0.1334","","","","","","0.825","","","","has coordinates","196276","2020-10-21","18:00:00",""
"7119880","18.478","0.003","22.949","0.003","28.154","0.004","90","","105.36","0.005","90","","11512","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Cu6 Dy12 N44 O76 -","- C54 H54 Cu6 Dy12 N44 O76 -","- C108 H108 Cu12 Dy24 N88 O152 -","2","0.5","","Alexandropoulos, Dimitris I.; Poole, Katye M.; Cunha-Silva, Luis; Ahmad Sheikh, Javeed; Wernsdorfer, Wolfgang; Christou, George; Stamatatos, Theocharis C.","A family of 'windmill'-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes.","Chemical communications (Cambridge, England)","2017","53","30","4266","4269","10.1039/c7cc01382e","","","0.71073","MoKα","","0.0562","0.0474","","","0.1172","0.1252","","","","","","0.673","","","","has coordinates","196276","2020-10-21","18:00:00",""
"7119881","9.542","0.005","11.051","0.006","11.5","0.007","105.75","0.02","108.68","0.02","95.23","0.02","1084.4","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 Br N3 -","- C26 H20 Br N3 -","- C52 H40 Br2 N6 -","2","1","","Singh, RahulKumar Rajmani; Liu, Rai-Shung","Gold-catalyzed oxidative couplings of two indoles with one aryldiazo cyanide under oxidant-free conditions.","Chemical communications (Cambridge, England)","2017","53","33","4593","4596","10.1039/c7cc01304c","","","0.71073","MoKα","","0.2308","0.0685","","","0.1448","0.2086","","","","","","0.923","","","","has coordinates","196271","2020-10-21","18:00:00",""
"7119882","12.1816","0.0003","7.75707","0.00017","12.8655","0.0003","90","","101.439","0.0014","90","","1191.56","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C58 H58 N2 O8 -","2","1","","Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.","Chemical communications (Cambridge, England)","2017","53","35","4779","4782","10.1039/c7cc01058c","","","1.54187","CuKα","","0.1006","0.0486","","","0.1071","0.162","","","","","","1.158","","","","has coordinates","196297","2020-10-21","18:00:00",""
"7119883","17.5157","0.0004","28.4071","0.0006","34.7703","0.0007","90","","90","","90","","17300.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C736 H768 Br32 N32 O128 -","32","8","","Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.","Chemical communications (Cambridge, England)","2017","53","35","4779","4782","10.1039/c7cc01058c","","","1.54187","CuKα","","","0.0368","","","","0.0854","","","","","","1.131","","","","has coordinates","196297","2020-10-21","18:00:00",""
"7119884","7.164","0.0004","9.2165","0.0005","10.1606","0.0005","85.162","0.004","82.217","0.004","81.222","0.005","655.52","0.06","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","4-(hydroxymethyl)coumarin 7-benzoate","","- C17 H12 O5 -","- C17 H12 O5 -","- C34 H24 O10 -","2","1","","Ji, Wei; Zhang, Shijin; Filonenko, Georgy A.; Li, Guanying; Sasaki, Toshio; Feng, Chuanliang; Zhang, Ye","Co-organizing synthesis of heterogeneous nanostructures through the photo-cleavage of pre-stabilized self-assemblies.","Chemical communications (Cambridge, England)","2017","53","34","4702","4705","10.1039/c7cc01912b","","x-ray","0.71073","MoKα","","0.0613","0.0504","","","0.1359","0.1434","","","","","","1.037","","","","has coordinates","196302","2020-10-21","18:00:00",""
"7119885","9.2518","0.0012","18.883","0.003","15.178","0.002","90","","94.143","0.005","90","","2644.7","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N3 O3 S -","- C28 H28 Br N3 O3 S -","- C112 H112 Br4 N12 O12 S4 -","4","2","","Zhu, Chao-Ze; Feng, Jian-Jun; Zhang, Junliang","Rhodium-catalyzed intermolecular [3+3] cycloaddition of vinyl aziridines with C,N-cyclic azomethine imines: stereospecific synthesis of chiral fused tricyclic 1,2,4-hexahydrotriazines.","Chemical communications (Cambridge, England)","2017","53","34","4688","4691","10.1039/c7cc02078c","","","0.71073","MoKα","","0.1195","0.0635","","","0.1419","0.1724","","","","","","1.012","","","","has coordinates","196306","2020-10-21","18:00:00",""
"7119886","13.392","0.003","9.3651","0.0019","14.198","0.003","90","","96.308","0.005","90","","1769.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Min, Junxiang; Xu, Guangyang; Sun, Jiangtao","A controlled selective synthesis of dihydropyrans through tandem reaction of alkynes with diazo compounds.","Chemical communications (Cambridge, England)","2017","53","31","4350","4353","10.1039/c7cc01616f","","","0.71073","MoKα","","0.0817","0.0526","","","0.1594","0.1779","","","","","","1.058","","","","has coordinates","196281","2020-10-21","18:00:00",""
"7119887","10.6312","0.0002","15.7365","0.0003","18.2828","0.0003","90","","90","","90","","3058.67","0.1","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3b_le-4-140","","- C33 H40 N4 O -","- C33 H40 N4 O -","- C132 H160 N16 O4 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0459","0.0401","","","0.1048","0.1083","","","","","","1.03","","","","has coordinates","196282","2020-10-21","18:00:00",""
"7119888","15.0226","0.0003","11.73248","0.00017","19.0842","0.0003","90","","105.014","0.0018","90","","3248.81","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a_le-5-2","","- C35 H48 N4 O3 -","- C35 H48 N4 O3 -","- C140 H192 N16 O12 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0578","0.0508","","","0.1367","0.1423","","","","","","1.045","","","","has coordinates","196282","2020-10-21","18:00:00",""
"7119889","9.56973","0.00017","16.68","0.0003","20.6981","0.0004","90","","101.347","0.0019","90","","3239.32","0.11","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4_le-5-7","","- C35 H46 N4 O2 -","- C35 H46 N4 O2 -","- C140 H184 N16 O8 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0698","0.0579","","","0.1609","0.1723","","","","","","1.036","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119890","16.89427","0.00017","12.89091","0.00013","20.8753","0.0002","90","","109.346","0.0012","90","","4289.56","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","5_LE-5-69","","- C78 H102 K2 N12 O9 -","- C78 H102 K2 N12 O9 -","- C156 H204 K4 N24 O18 -","2","0.5","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0931","0.0886","","","0.2284","0.2326","","","","","","1.029","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119891","14.5259","0.0003","19.9419","0.0003","29.1694","0.0006","90","","101.055","0.0018","90","","8292.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6_LE-5-55","","- C40 H47 Br N4 O -","- C40 H47 Br N4 O -","- C320 H376 Br8 N32 O8 -","8","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0426","0.0405","","","0.1036","0.1048","","","","","","1.055","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119892","15.33916","0.00012","15.62771","0.00007","15.99955","0.00012","90","","112.04","0.0009","90","","3555.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_LE-5-11","","- C35 H51 Li N6 O4 -","- C35 H51 Li N6 O4 -","- C140 H204 Li4 N24 O16 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","0.7129","synchrotron","","0.0456","0.0445","","","0.1224","0.1233","","","","","","1.045","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119893","8.2326","0.0002","13.5545","0.0003","17.4759","0.0004","90","","90","","90","","1950.11","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 S Zn -","- C19 H22 N2 O5 S Zn -","- C76 H88 N8 O20 S4 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.0416","0.0401","","","0.1116","0.1181","","","","","","1.069","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119894","6.2031","0.0002","13.9957","0.0006","16.9125","0.0006","90","","90","","90","","1468.29","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl N2 O3 Zn -","- C12 H17 Cl N2 O3 Zn -","- C48 H68 Cl4 N8 O12 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0458","0.035","","","0.06","0.0627","","","","","","0.94","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119895","6.166","0.005","15.763","0.005","17.831","0.005","90","0.005","90","0.005","90","0.005","1733.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N2 O6 Zn -","- C14 H22 N2 O6 Zn -","- C56 H88 N8 O24 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0622","0.0594","","","0.1667","0.1715","","","","","","1.054","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119896","17.764","0.003","17.764","0.003","10.4098","0.0012","90","","90","","120","","2844.8","0.8","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C12 H17 N5 O2 Zn -","- C12 H17 N5 O2 Zn -","- C72 H102 N30 O12 Zn6 -","6","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.1268","0.0864","","","0.2175","0.2485","","","","","","1.013","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119897","6.2078","0.0006","14.2553","0.0011","17.0701","0.0016","90","","90","","90","","1510.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Br N2 O3 Zn -","- C12 H19 Br N2 O3 Zn -","- C48 H76 Br4 N8 O12 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.1519","0.0997","","","0.216","0.2708","","","","","","0.962","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119898","7.7667","0.0003","5.8151","0.0002","13.6758","0.0006","90","","102.312","0.004","90","","603.45","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0417","0.0393","","","0.0991","0.1003","","","","","","1.164","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119899","6.1863","0.0003","16.8458","0.0007","15.5108","0.0013","90","","96.948","0.006","90","","1604.56","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O6 Zn -","- C12 H19 N3 O6 Zn -","- C48 H76 N12 O24 Zn4 -","4","2","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.08","0.0705","","","0.1838","0.1949","","","","","","1.027","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119900","17.9746","0.0009","15.7488","0.0008","26.9666","0.0014","90","","107.71","0.001","90","","7271.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68.5 H112.5 Dy Li N4 O6 -","- C68.5 H112.5 Dy Li N4 O6 -","- C274 H450 Dy4 Li4 N16 O24 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0426","0.0338","","","0.086","0.0893","","","","","","1.047","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119901","16.8819","0.0019","15.9384","0.0013","27.699","0.002","90","","103.719","0.009","90","","7240.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H109 Er Li N4 O6 -","- C67 H109 Er Li N4 O6 -","- C268 H436 Er4 Li4 N16 O24 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0997","0.0575","","","0.1311","0.1463","","","","","","1.03","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119902","18.126","0.003","15.536","0.003","26.498","0.005","90","","107.529","0.003","90","","7115","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H114 Li N4 O7 Tb -","- C69 H114 Li N4 O7 Tb -","- C276 H456 Li4 N16 O28 Tb4 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.1034","0.0883","","","0.2277","0.236","","","","","","1.171","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119903","16.1232","0.0001","17.3948","0.0001","24.3737","0.0002","90","","90","","90","","6835.84","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65.89 H106.71 Dy Li N4 O6.94 -","- C65.884 H106.71 Dy Li N4 O6.942 -","- C263.536 H426.84 Dy4 Li4 N16 O27.768 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0463","0.0397","","","0.0967","0.1006","","","","","","1.105","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119904","17.9007","0.0006","13.4705","0.0004","18.9244","0.0007","90","","98.1603","0.0016","90","","4517.1","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C37 H27 Br N2 O2 -","- C37 H27 Br N2 O2 -","- C222 H162 Br6 N12 O12 -","6","3","","Zhu, Guodong; Wu, Shiqi; Bao, Xiaoze; Cui, Longchen; Zhang, Yanpeng; Qu, Jingping; Chen, Hongbo; Wang, Baomin","Asymmetric [3+2] cycloaddition of 3-amino oxindole-based azomethine ylides with α,β-ynones: a straightforward approach to spirooxindoles incorporating 2,5-dihydropyrroles and pyrroles.","Chemical communications (Cambridge, England)","2017","53","34","4714","4717","10.1039/c7cc01653k","","","0.71073","MoKα","","0.0736","0.0391","","","0.0839","0.0923","","","","","","0.988","","","","has coordinates","196307","2020-10-21","18:00:00",""
"7119905","9.5389","0.0003","10.7066","0.0003","11.237","0.0003","66.541","0.001","73.749","0.002","85.725","0.002","1009.82","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl N O2 S -","- C24 H18 Cl N O2 S -","- C48 H36 Cl2 N2 O4 S2 -","2","1","","Mao, Xi; Tong, Tao; Fan, Senbao; Fang, Liting; Wu, Jingyi; Wang, Xiaoxia; Kang, Honglan; Lv, Xin","One-pot synthesis of thiazino[2,3,4-hi]indole derivatives through a tandem oxidative coupling/heteroannulation process.","Chemical communications (Cambridge, England)","2017","53","34","4718","4721","10.1039/c7cc00992e","","","0.71073","MoKα","","","0.0577","","","0.1375","0.1567","","","","","","1.055","","","","has coordinates","196308","2020-10-21","18:00:00",""
"7119906","8.774","0.005","10.058","0.005","14.512","0.005","96.541","0.005","105.912","0.005","108.607","0.005","1138.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O3 S -","- C26 H30 N2 O3 S -","- C52 H60 N4 O6 S2 -","2","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0669","0.0454","","","0.104","0.1133","","","","","","1.014","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119907","5.4942","0.0017","18.284","0.006","6.781","0.002","90","","103.824","0.005","90","","661.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0765","0.0555","","","0.1348","0.1826","","","","","","0.998","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119908","9.9562","0.0006","12.5624","0.0007","16.3026","0.001","90","","92.165","0.002","90","","2037.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O3 S -","- C23 H24 N2 O3 S -","- C92 H96 N8 O12 S4 -","4","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0721","0.0467","","","0.1073","0.1216","","","","","","1.015","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119909","25.3416","0.0004","25.3416","0.0004","16.5233","0.0003","90","","90","","120","","9189.6","0.3","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25 -","- C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25 -","- C217.5 H175.5 Ag14 B14 F56 N76.5 O4.5 -","2","0.333333","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao","A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.","Chemical communications (Cambridge, England)","2017","53","35","4767","4770","10.1039/c7cc02005h","","","1.54184","CuKα","","0.077","0.0555","","","0.1315","0.1389","","","","","","1.017","","","","has coordinates","196296","2020-10-21","18:00:00",""
"7119910","25.4554","0.0003","25.4554","0.0003","16.5591","0.0002","90","","90","","120","","9292.39","0.19","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C102 H72 Ag7 Cl7 N36 O28 -","- C102 H72 Ag7 Cl7 N36 O28 -","- C204 H144 Ag14 Cl14 N72 O56 -","2","0.333333","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao","A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.","Chemical communications (Cambridge, England)","2017","53","35","4767","4770","10.1039/c7cc02005h","","","1.54184","CuKα","","0.0437","0.0359","","","0.0918","0.0948","","","","","","1.003","","","","has coordinates","196296","2020-10-21","18:00:00",""
"7119911","24.2819","0.0006","9.3561","0.0002","25.4208","0.0007","90","","90.908","0.002","90","","5774.5","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 I N2 O3 P -","- C27 H37.5 I N2 O3 P -","- C216 H300 I8 N16 O24 P8 -","8","2","","Li, Shiwu; Gao, Meng; Wang, Shuxia; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Light up detection of heparin based on aggregation-induced emission and synergistic counter ion displacement.","Chemical communications (Cambridge, England)","2017","53","35","4795","4798","10.1039/c7cc01602f","","x-ray","0.71073","MoKα","","0.0702","0.0443","","","0.0864","0.0954","","","","","","1","","","","has coordinates,has disorder","196295","2020-10-21","18:00:00",""
"7119912","12.038","0.002","12.491","0.003","16.889","0.003","93.07","0.03","103.47","0.03","90.98","0.03","2465","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H36 I19 K5 N6 O16 Pb6 Zn2 -","- C42 H36 I19 K5 N6 O16 Pb6 Zn2 -","- C42 H36 I19 K5 N6 O16 Pb6 Zn2 -","1","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Li, Ling; Chen, Yong; Dai, Wen-Xin; Huang, Chang-Cang; Lin, Mei-Jin","Construction of a bicontinuous donor-acceptor hybrid material at the molecular level by inserting inorganic nanowires into porous MOFs.","Chemical communications (Cambridge, England)","2017","53","32","4481","4484","10.1039/c7cc00495h","","","0.71073","MoKα","","0.0847","0.0622","","","0.1731","0.1905","","","","","","1.053","","","","has coordinates","196270","2020-10-21","18:00:00",""
"7119913","18.7223","0.0011","5.7758","0.0004","20.8283","0.0014","90","","91.165","0.006","90","","2251.8","0.3","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H12 I N2 O4 Zn0.5 -","- C14 H12 I N2 O4 Zn0.5 -","- C56 H48 I4 N8 O16 Zn2 -","4","1","","Liu, Jian-Jun; Guan, Ying-Fang; Li, Ling; Chen, Yong; Dai, Wen-Xin; Huang, Chang-Cang; Lin, Mei-Jin","Construction of a bicontinuous donor-acceptor hybrid material at the molecular level by inserting inorganic nanowires into porous MOFs.","Chemical communications (Cambridge, England)","2017","53","32","4481","4484","10.1039/c7cc00495h","","","0.71073","MoKα","","0.1455","0.1313","","","0.4515","0.4748","","","","","","1.187","","","","has coordinates","196270","2020-10-21","18:00:00",""
"7119927","8.7183","0.0013","18.007","0.002","9.5051","0.0011","90","","106.811","0.008","90","","1428.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 F3 N2 O2 -","- C32 H31 F3 N2 O2 -","- C64 H62 F6 N4 O4 -","2","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0712","0.0515","","","0.1446","0.1662","","","","","","1.073","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119928","8.2953","0.0005","9.5761","0.0005","17.2423","0.0009","90","","101.342","0.003","90","","1342.92","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Br N3 O4 -","- C30 H28 Br N3 O4 -","- C60 H56 Br2 N6 O8 -","2","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0967","0.0737","","","0.1536","0.1652","","","","","","1.088","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119929","5.8757","0.001","14.464","0.002","15.887","0.003","90","","90","","90","","1350.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-Methoxybenzoyl)methylbenzylamine","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0435","0.0371","","","0.0852","0.0893","","","","","","1.06","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119930","9.4943","0.0002","16.1705","0.0004","18.3454","0.0005","90","","90","","90","","2816.52","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F3 I N2 O2 -","- C31 H28 F3 I N2 O2 -","- C124 H112 F12 I4 N8 O8 -","4","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0328","0.0277","","","0.0582","0.0612","","","","","","1.004","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119931","5.354","0.0002","8.3824","0.0004","13.8585","0.0007","96.477","0.003","93.829","0.003","105.841","0.003","591.42","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H29 F N2 O2 -","- C30 H29 F N2 O2 -","- C30 H29 F N2 O2 -","1","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0946","0.0668","","","0.1661","","","","","","","1.049","","","","has coordinates,has disorder","196272","2020-10-21","18:00:00",""
"7119932","8.3035","0.0014","9.6853","0.0013","17.333","0.003","90","","101.057","0.009","90","","1368.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N3 O4 -","- C15.5 H14 F1.5 N1.5 O2 -","- C62 H56 F6 N6 O8 -","4","2","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0787","0.0616","","","0.1599","0.1708","","","","","","1.061","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119933","11.2812","0.0004","14.038","0.0005","18.1066","0.0005","89.495","0.002","82.741","0.002","73.516","0.003","2726.47","0.16","150.02","0.11","150.02","0.11","","","","","","","","7","P -1","-P 1","2","[Eu(BTrzPhen)2](OTf)3","aqua-bis(2,9-bis(1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)-1,10-phenanthroline)-europium(III) di(trifluoromethanesulfonate) monohydrat","","- C42 H40 Eu F6 N16 O12 S2 -","- C42 H40 Eu F6 N16 O12 S2 -","- C84 H80 Eu2 F12 N32 O24 S4 -","2","1","","Edwards, Alyn C.; Mocilac, Pavle; Geist, Andreas; Harwood, Laurence M.; Sharrad, Clint A.; Burton, Neil A.; Whitehead, Roger C.; Denecke, Melissa A.","Hydrophilic 2,9-bis-triazolyl-1,10-phenanthroline ligands enable selective Am(iii) separation: a step further towards sustainable nuclear energy.","Chemical communications (Cambridge, England)","2017","53","36","5001","5004","10.1039/c7cc01855j","","","0.71073","MoKα","","0.0744","0.0574","","","0.1282","0.1365","","","","","","1.059","","","","has coordinates,has disorder","196291","2020-10-21","18:00:00",""
"7119934","14.9364","0.0003","7.6637","0.0002","18.4671","0.0004","90","","97.593","0.001","90","","2095.36","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 O6 S2 -","- C46 H62 O6 S2 -","- C92 H124 O12 S4 -","2","0.5","","Khambhati, D. P.; Sachinthani, K. A. N.; Rheingold, A. L.; Nelson, T. L.","Regioselective copper-catalyzed direct arylation of benzodithiophene-S,S-tetraoxide.","Chemical communications (Cambridge, England)","2017","53","37","5107","5109","10.1039/c7cc01781b","","","1.54178","CuKα","","0.0452","0.0392","","","0.0943","0.0975","","","","","","1.068","","","","has coordinates","196267","2020-10-21","18:00:00",""
"7119938","5.1466","0.0002","22.4076","0.0009","25.6853","0.0018","90","","90","","90","","2962.1","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 F2 N6 O6 -","- C29 H34 F2 N6 O6 -","- C116 H136 F8 N24 O24 -","4","1","","Mamone, M.; Gonçalves, R S B; Blanchard, F.; Bernadat, G.; Ongeri, S.; Milcent, T.; Crousse, B.","N-Difluoromethyl-triazole as a constrained scaffold in peptidomimetics.","Chemical communications (Cambridge, England)","2017","53","36","5024","5027","10.1039/c7cc01298e","","","1.54178","CuKα","","0.1229","0.0485","","","0.0959","0.1397","","","","","","0.988","","","","has coordinates","196290","2020-10-21","18:00:00",""
"7119939","14.8944","0.0004","9.8978","0.0003","32.5727","0.0007","90","","90","","90","","4801.9","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","dipyrihexaphyrin uranyl","dipyriamethyrin uranyl complex","","- C56 H46 F10 N6 O2 U -","- C56 H46 F10 N6 O2 U -","- C224 H184 F40 N24 O8 U4 -","4","0.5","","Brewster, James T.; He, Qing; Anguera, Gonzalo; Moore, Matthew D.; Ke, Xian-Sheng; Lynch, Vincent M.; Sessler, Jonathan L.","Synthesis and characterization of a dipyriamethyrin-uranyl complex.","Chemical communications (Cambridge, England)","2017","53","36","4981","4984","10.1039/c7cc01674c","","","1.54184","CuKα","","0.047","0.0375","","","0.0883","0.0947","","","","","","1.1","","","","has coordinates","196293","2020-10-21","18:00:00",""
"7119940","8.5433","0.0005","18.7105","0.001","19.0289","0.0013","68.396","0.006","82.032","0.005","77.23","0.005","2752.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dipyrihexaphyrin","dipyriamethyrin","","- C58 H52 Cl4 F10 N6 -","- C58 H52 Cl4 F10 N6 -","- C116 H104 Cl8 F20 N12 -","2","1","","Brewster, James T.; He, Qing; Anguera, Gonzalo; Moore, Matthew D.; Ke, Xian-Sheng; Lynch, Vincent M.; Sessler, Jonathan L.","Synthesis and characterization of a dipyriamethyrin-uranyl complex.","Chemical communications (Cambridge, England)","2017","53","36","4981","4984","10.1039/c7cc01674c","","","1.54184","CuKα","","0.1425","0.0969","","","0.2278","0.2604","","","","","","1.027","","","","has coordinates","196293","2020-10-21","18:00:00",""
"7119945","8.5964","0.0002","9.7097","0.0002","11.6415","0.0003","94.704","0.001","111.769","0.002","91.394","0.001","897.79","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0538","0.0428","","","0.1196","0.1284","","","","","","1.039","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119946","8.6797","0.0002","9.6861","0.0002","11.3175","0.0002","93.296","0.001","109.136","0.001","92.301","0.001","895.67","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0519","0.0333","","","0.0786","0.0832","","","","","","0.956","","","","has coordinates","196294","2020-10-21","18:00:00",""
"7119947","8.5964","0.0002","9.7099","0.0002","11.6456","0.0003","94.705","0.001","111.845","0.002","91.391","0.001","897.64","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0541","0.043","","","0.1202","0.1296","","","","","","1.064","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119948","8.5989","0.0002","9.7109","0.0003","11.6303","0.0003","94.667","0.001","111.698","0.002","91.429","0.001","897.77","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0528","0.044","","","0.1232","0.1312","","","","","","1.053","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119949","8.616","0.0003","9.6963","0.0004","11.5069","0.0004","94.172","0.003","110.426","0.002","91.735","0.002","896.9","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0626","0.0513","","","0.1143","0.1234","","","","","","1.127","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119950","11.5732","0.0006","12.7765","0.0007","13.1918","0.0007","97.696","0.002","108.46","0.002","99.643","0.002","1787.27","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C88 H64 Br4 N4 O8 S4 -","2","1","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0847","0.0569","","","0.1333","0.1457","","","","","","1.084","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119951","8.6501","0.0004","9.691","0.0004","11.4533","0.0005","93.968","0.003","109.971","0.003","91.879","0.002","898.58","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0831","0.0695","","","0.1344","0.1417","","","","","","1.219","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119952","9.6864","0.0005","8.4793","0.0005","31.9276","0.0018","90","","96.433","0.004","90","","2605.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0813","0.0483","","","0.1084","0.1171","","","","","","0.93","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119953","8.5906","0.0002","9.7077","0.0002","11.6448","0.0003","94.709","0.001","111.858","0.002","91.399","0.001","896.67","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0534","0.0426","","","0.1209","0.1302","","","","","","1.046","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119954","8.5997","0.0002","9.7097","0.0002","11.6134","0.0003","94.602","0.001","111.523","0.002","91.472","0.001","897.61","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0545","0.0434","","","0.1193","0.1276","","","","","","1.031","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119955","8.6159","0.0003","9.7052","0.0003","11.5522","0.0004","94.355","0.003","110.91","0.002","91.578","0.002","898.21","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0561","0.0459","","","0.1233","0.1302","","","","","","1.055","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119956","8.612","0.0003","9.7121","0.0004","11.5828","0.0003","94.47","0.001","111.179","0.002","91.55","0.001","899.02","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.055","0.0454","","","0.1239","0.1317","","","","","","1.074","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119957","8.5966","0.0002","9.7095","0.0002","11.6614","0.0002","94.75","0.001","111.998","0.001","91.366","0.001","897.81","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0538","0.0434","","","0.1191","0.1281","","","","","","1.028","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119958","11.5487","0.0005","12.7694","0.0005","13.171","0.0006","97.689","0.002","108.313","0.002","99.485","0.003","1782.67","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C88 H64 Br4 N4 O8 S4 -","2","1","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.1426","0.0436","","","0.0671","0.0826","","","","","","0.814","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119959","8.5953","0.0003","9.7096","0.0003","11.6335","0.0004","94.661","0.002","111.729","0.002","91.425","0.002","897.34","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0547","0.0431","","","0.1202","0.1283","","","","","","1.041","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119960","8.5791","0.0002","9.7036","0.0003","11.6537","0.0003","94.725","0.002","111.977","0.002","91.443","0.002","894.95","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.1092","0.0461","","","0.0882","0.1035","","","","","","0.928","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119961","8.595","0.0002","9.707","0.0003","11.6561","0.0003","94.748","0.001","111.956","0.002","91.375","0.001","897.27","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0538","0.0431","","","0.1183","0.1283","","","","","","1.03","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119962","12.61","0.005","5.974","0.005","12.888","0.005","90","","106.487","0.005","90","","931","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C42 H34 Br2 N4 O8 -","2","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71069","MoKα","","0.0273","0.0242","","","0.0551","0.056","","","","","","1.037","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119963","7.683","0.005","10.196","0.005","19.34","0.005","90","","90","","90","","1515","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71069","MoKα","","0.0671","0.0635","","","0.1796","0.1839","","","","","","1.03","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119964","10.8555","0.0004","12.1442","0.0005","12.5528","0.0005","90","","90","","90","","1654.85","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71073","MoKα","","0.0415","0.0349","","","0.0765","0.0789","","","","","","1.053","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119965","26.2902","0.0008","26.2902","0.0008","45.5256","0.0015","90","","90","","90","","31466.1","1.7","150","2","150","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C136 H84 Cl4 F12 N44 Ni11 O14 P2 -","- C136 H84 Cl4 F12 N44 Ni11 O14 P2 -","- C1088 H672 Cl32 F96 N352 Ni88 O112 P16 -","8","","","Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.","Chemical communications (Cambridge, England)","2017","53","34","4673","4676","10.1039/c7cc01831b","","","0.71073","MoKα","","0.1302","0.0865","","","0.2069","0.2384","","","","","","1.091","","","","has coordinates,has disorder","196305","2020-10-21","18:00:00",""
"7119966","16.3756","0.0008","17.1876","0.0008","26.5639","0.0013","74.3715","0.0014","74.7034","0.0014","86.5878","0.0015","6944.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H102 Cl4 N44 Ni11 O9 -","- C131 H102 Cl4 N44 Ni11 O9 -","- C262 H204 Cl8 N88 Ni22 O18 -","2","1","","Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.","Chemical communications (Cambridge, England)","2017","53","34","4673","4676","10.1039/c7cc01831b","","","0.71073","MoKα","","0.1338","0.0672","","","0.187","0.2471","","","","","","1.044","","","","has coordinates,has disorder","196305","2020-10-21","18:00:00",""
"7119974","26.644","0.003","26.644","0.003","27.368","0.003","90","","90","","90","","19429","4","100","","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C51 H96 Co3 Gd3 N6 O32 -","- C51 H96 Co3 Gd3 N6 O32 -","- C408 H768 Co24 Gd24 N48 O256 -","8","0.5","","Ojea, María José Heras; Lorusso, Giulia; Craig, Gavin A.; Wilson, Claire; Evangelisti, Marco; Murrie, Mark","A topologically unique alternating {CoGd} magnetocaloric ring.","Chemical communications (Cambridge, England)","2017","53","35","4799","4802","10.1039/c7cc02243c","","x-ray","0.71073","MoKα","","0.049","0.0353","","","0.0838","0.0967","","","","","","1.168","","","","has coordinates,has disorder","196298","2020-10-21","18:00:00",""
"7119979","29.4436","0.0011","29.4436","0.0011","54.543","0.004","90","","90","","90","","47285","4","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C72 H124 Mo12 N5 O45 P Zn4 -","- C72 H124 Mo12 N5 O45 P Zn4 -","- C1152 H1984 Mo192 N80 O720 P16 Zn64 -","16","0.5","","Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian","Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.","Chemical communications (Cambridge, England)","2017","53","37","5204","5207","10.1039/c6cc10208e","","","0.71073","MoKα","","0.13","0.075","","","0.2024","0.2348","","","","","","1.059","","","","has coordinates","196264","2020-10-21","18:00:00",""
"7119980","25.686","0.005","31.77","0.005","25.129","0.005","90","0.005","90","0.005","90","0.005","20506","7","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C120 H236 Mo24 N10 O88 P2 Zn8 -","- C104 H162 Mo24 N9 O88 P2 Zn8 -","- C416 H648 Mo96 N36 O352 P8 Zn32 -","4","0.5","","Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian","Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.","Chemical communications (Cambridge, England)","2017","53","37","5204","5207","10.1039/c6cc10208e","","","0.71069","MoKα","","0.1331","0.0832","","","0.2245","0.2523","","","","","","0.998","","","","has coordinates,has disorder","196264","2020-10-21","18:00:00",""
"7119984","7.801","0.0002","11.7472","0.0003","20.3556","0.0005","75.44","0.002","81.373","0.002","89.986","0.002","1783.68","0.08","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 B10 S2 -","- C13 H18 B10 S2 -","- C52 H72 B40 S8 -","4","4","","Quan, Yangjian; Lyu, Hairong; Xie, Zuowei","Dehydrogenative cross-coupling of o-carborane with thiophenes via Ir-catalyzed regioselective cage B-H and C(sp(2))-H activation.","Chemical communications (Cambridge, England)","2017","53","35","4818","4821","10.1039/c7cc01485f","","","0.71073","MoKα","","0.0907","0.0515","","","0.1168","0.1414","","","","","","1.001","","","","has coordinates","196299","2020-10-21","18:00:00",""
"7119986","18.6161","0.001","11.3161","0.0007","21.2379","0.0014","90","","90","","90","","4474","0.5","85","","85","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C43 H56 F6 N5 O4 Rh Sb -","- C43 H56 F6 N5 O4 Rh Sb -","- C172 H224 F24 N20 O16 Rh4 Sb4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0269","","","","0.0759","","","","","","0.866","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7119987","12.6767","0.0006","17.8148","0.0009","18.2085","0.0007","90","","101.841","0.0013","90","","4024.6","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 N3 O5 Rh -","- C40 H60 N3 O5 Rh -","- C160 H240 N12 O20 Rh4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0465","","","","0.1206","","","","","","1.216","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7119988","12.1457","0.0006","18.9914","0.001","19.1816","0.001","90","","94.029","0.0012","90","","4413.6","0.4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 N5 O5 Rh -","- C46 H62 N5 O5 Rh -","- C184 H248 N20 O20 Rh4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0307","","","","0.0951","","","","","","1.169","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7119990","11.902","0.002","11.629","0.002","10.85","0.002","90","","111.77","0.03","90","","1394.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 B La N6 O10 -","- C4 H8 B La N6 O10 -","- C16 H32 B4 La4 N24 O40 -","4","1","","Zottnick, Sven H.; Finze, Maik; Müller-Buschbaum, Klaus","Transformation of the ionic liquid [EMIM][B(CN)4] into anionic and neutral lanthanum tetracyanoborate coordination polymers by ionothermal reactions.","Chemical communications (Cambridge, England)","2017","53","37","5193","5195","10.1039/c7cc01378g","","","0.71073","MoKα","","0.0254","0.0202","","","0.0443","0.046","","","","","","1.034","","","","has coordinates","196262","2020-10-21","18:00:00",""
"7119991","9.561","0.0019","20.688","0.004","16.487","0.003","90","","104.85","0.03","90","","3152.2","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 B3 La N15 O6 -","- C18 H17 B3 La N15 O6 -","- C72 H68 B12 La4 N60 O24 -","4","1","","Zottnick, Sven H.; Finze, Maik; Müller-Buschbaum, Klaus","Transformation of the ionic liquid [EMIM][B(CN)4] into anionic and neutral lanthanum tetracyanoborate coordination polymers by ionothermal reactions.","Chemical communications (Cambridge, England)","2017","53","37","5193","5195","10.1039/c7cc01378g","","","0.71073","MoKα","","0.0392","0.0302","","","0.0704","0.0746","","","","","","1.052","","","","has coordinates","196262","2020-10-21","18:00:00",""
"7119992","10.4862","0.0005","11.7144","0.0005","20.1408","0.0009","90","","102.032","0.003","90","","2419.73","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B O2 Se -","- C27 H31 B O2 Se -","- C108 H124 B4 O8 Se4 -","4","1","","Armstrong, Roly J.; Sandford, Christopher; García-Ruiz, Cristina; Aggarwal, Varinder K.","Conjunctive functionalization of vinyl boronate complexes with electrophiles: a diastereoselective three-component coupling.","Chemical communications (Cambridge, England)","2017","53","36","4922","4925","10.1039/c7cc01671a","","","0.71073","MoKα","","0.0494","0.0328","","","0.0697","0.0754","","","","","","1.014","","","","has coordinates","196287","2020-10-21","18:00:00",""
"7119993","8.0715","0.0002","8.9946","0.0002","25.1406","0.0006","90","0","98.0371","0.0008","90","0","1807.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-21","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C84 H64 Cl8 O12 -","4","2","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.025","0.0242","","","0.0584","0.0588","","","","","","1.081","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119994","9.629","0.005","17.514","0.005","10.738","0.005","90","0","98.23","0.005","90","0","1792.2","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-19","","- C22 H17 Br O3 -","- C22 H17 Br O3 -","- C88 H68 Br4 O12 -","4","2","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0268","0.0255","","","0.0537","0.0544","","","","","","1.085","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119995","8.43","0.005","14.204","0.005","14.905","0.005","90","0","90","0","90","0","1784.7","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(benzofuran-2-yl)-3-((S)-1-(2,4-dichlorophenyl)allyl)dihydrofuran-2(3H)-one","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C84 H64 Cl8 O12 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0246","0.0237","","","0.0562","0.0566","","","","","","1.066","","","","has coordinates","196289","2020-10-21","18:00:00",""
"7119996","8.298","0.0002","10.5377","0.0003","21.5903","0.0006","90","","90","","90","","1887.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","22","","- C21 H20 Cl2 O3 -","- C21 H20 Cl2 O3 -","- C84 H80 Cl8 O12 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0209","0.0204","","","0.0529","0.0533","","","","","","1.065","","","","has coordinates","196289","2020-10-21","18:00:00",""
"7119997","10.3925","0.0015","16.372","0.002","16.948","0.003","93.428","0.005","100.442","0.004","98.703","0.004","2791.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Na2 O8 P2 Zr2 -","- C58 H76 Na2 O8 P2 Zr2 -","- C116 H152 Na4 O16 P4 Zr4 -","2","1","","Kieser, Jerod M.; Gilliard, Jr, Robert J; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Insertion of sodium phosphaethynolate, Na[OCP], into a zirconium-benzyne complex.","Chemical communications (Cambridge, England)","2017","53","37","5110","5112","10.1039/c7cc01482a","","","0.71073","MoKα","","0.0847","0.0596","","","0.1531","0.1745","","","","","","1.098","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7119998","10.6157","0.0018","17.277","0.002","10.7644","0.0016","90","","105.752","0.005","90","","1900.1","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 O2 P2 Si2 Zr2 -","- C40 H46 O2 P2 Si2 Zr2 -","- C80 H92 O4 P4 Si4 Zr4 -","2","0.5","","Kieser, Jerod M.; Gilliard, Jr, Robert J; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Insertion of sodium phosphaethynolate, Na[OCP], into a zirconium-benzyne complex.","Chemical communications (Cambridge, England)","2017","53","37","5110","5112","10.1039/c7cc01482a","","x-ray","0.71073","MoKα","","0.0402","0.0363","","","0.0946","0.0986","","","","","","1.063","","","","has coordinates","196261","2020-10-21","18:00:00",""
"7120001","14.892","0.005","6.4795","0.0019","10.752","0.003","90","","90","","90","","1037.5","0.5","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H12 N6 -","- C11 H12 N6 -","- C44 H48 N24 -","4","0.5","","Watanabe, Hiroyuki; Hirose, Masataka; Tanaka, Kazuo; Chujo, Yoshiki","Development of emissive aminopentaazaphenalene derivatives employing a design strategy for obtaining luminescent conjugated molecules by modulating the symmetry of molecular orbitals with substituent effects.","Chemical communications (Cambridge, England)","2017","53","36","5036","5039","10.1039/c7cc01287j","","","0.71075","MoKα","","0.0927","0.0613","","","0.1322","0.1468","","","","","","1.085","","","","has coordinates","196288","2020-10-21","18:00:00",""
"7120003","20.072","0.004","16.329","0.004","16.631","0.004","90","","90","","90","","5451","2","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H55 Eu N O22 -","- C44 H36 Eu N O22 -","- C176 H144 Eu4 N4 O88 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0577","0.0471","","","0.1341","0.1424","","","","","","1.052","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120004","20.118","0.004","16.652","0.003","16.747","0.003","90","","90","","90","","5610.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H56 N O22 Sm -","- C44 H51 N O22 Sm -","- C176 H204 N4 O88 Sm4 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0854","0.0585","","","0.177","0.1944","","","","","","1.064","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120005","20.056","0.004","16.412","0.003","16.648","0.003","90","","90","","90","","5479.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H56 N O22 Tb -","- C44 H51 N O22 Tb -","- C176 H204 N4 O88 Tb4 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0895","0.0679","","","0.1853","0.202","","","","","","1.071","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120019","36.9553","0.0007","36.9553","0.0007","119.924","0.003","90","","90","","120","","141837","5","99.97","0.1","99.97","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C382.5 H444 N24 O48 -","- C382.5 H444 N24 O48 -","- C4590 H5328 N288 O576 -","12","","","Wierzbicki, M.; Głowacka, A A; Szymański, M P; Szumna, A.","A chiral member of the family of organic hexameric cages.","Chemical communications (Cambridge, England)","2017","53","37","5200","5203","10.1039/c7cc02245j","","x-ray","1.54184","CuKα","","0.1497","0.0829","","","0.2383","0.2595","","","","","","0.864","","","","has coordinates,has disorder","196265","2020-10-21","18:00:00",""
"7120075","5.3164","0.0001","11.583","0.0003","17.1059","0.0004","84.2779","0.0012","82.5641","0.0012","85.7426","0.0012","1037.31","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C44 H48 N8 O8 -","2","1","","Srivastava, Bhartendu K.; Manheri, Muraleedharan K.","Towards a fragment-based approach in gelator design: halogen effects leading to thixotropic, mouldable and self-healing systems in aryl-triazolyl amino acid-based gelators!","Chemical communications (Cambridge, England)","2017","53","32","4485","4488","10.1039/c7cc00980a","","","0.71073","MoKα","","0.0617","0.0408","","","0.0974","0.1112","","","","","","1.012","","","","has coordinates","196212","2020-10-21","18:00:00",""
"7120076","10.426","0.001","13.8793","0.0012","27.409","0.002","90","","90","","90","","3966.2","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H36 B2 N2 P2 -","- C14 H36 B2 N2 P2 -","- C112 H288 B16 N16 P16 -","8","2","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.71073","MoKα","","0.0441","0.0376","","","0.1032","0.1112","","","","","","0.81","","","","has coordinates,has disorder","196213","2020-10-21","18:00:00",""
"7120077","6.7712","0.0004","21.3766","0.0014","6.9819","0.0004","90","","114.052","0.0016","90","","922.85","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H36 B2 N2 P2 -","- C12 H36 B2 N2 P2 -","- C24 H72 B4 N4 P4 -","2","1","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.71073","MoKα","","0.0389","0.0353","","","0.0856","0.0881","","","","","","1.053","","","","has coordinates","196213","2020-10-21","18:00:00",""
"7120078","12.9259","0.00014","12.42237","0.00013","18.1785","0.0002","90","","107.055","0.0012","90","","2790.57","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H54 B F24 N2 P2 Rh -","- C54 H54 B F24 N2 P2 Rh -","- C108 H108 B2 F48 N4 P4 Rh2 -","2","1","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.7107","MoKα","","0.0204","0.0198","","","0.0529","0.0531","","","","","","1.052","","","","has coordinates,has disorder","196213","2020-10-21","18:00:00",""
"7120079","12.9151","0.0014","20.3651","0.0014","7.0543","0.0006","90","","90","","90","","1855.4","0.3","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C8 H12 Ca F8 N4 O2 P2 -","- C8 H12 Ca F8 N4 O2 P2 -","- C32 H48 Ca4 F32 N16 O8 P8 -","4","0.5","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0439","0.0435","","","0.1165","0.117","","","","","","1.059","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120080","12.989","0.0004","13.1082","0.0004","13.8922","0.0004","100.396","0.0011","103.086","0.0011","91.607","0.0012","2260.21","0.12","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Ca4 F36 N6 O20 P6 -","- C52 H98 Ca4 F36 N6 O20 P6 -","- C52 H98 Ca4 F36 N6 O20 P6 -","1","0.5","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0841","0.0782","","","0.2048","0.2103","","","","","","1.079","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120081","28.1056","0.001","11.9971","0.0005","13.0595","0.0005","90","","90","","90","","4403.5","0.3","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H22 Ca F8 O8 P2 -","- C12 H22 Ca F8 O8 P2 -","- C96 H176 Ca8 F64 O64 P16 -","8","2","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0684","0.0593","","","0.1521","0.1589","","","","","","1.043","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120082","12.7225","0.0006","13.4339","0.0006","21.7776","0.001","73.456","0.002","89.794","0.002","68.867","0.002","3307.5","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H72 Ca4 F28 N4 O15 P4 -","- C38 H72 Ca4 F28 N4 O15 P4 -","- C76 H144 Ca8 F56 N8 O30 P8 -","2","1","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0589","0.051","","","0.1332","0.1388","","","","","","1.061","","","","has coordinates,has disorder","196214","2020-10-21","18:00:00",""
"7120083","27.523","0.004","39.478","0.005","42.338","0.007","90","","106.279","0.007","90","","44158","11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180.5 H163 B8 Co4 F32 N36 O15.5 S -","- C180.5 H156 B6 Co4 F24 N36 O15.5 S -","- C1444 H1248 B48 Co32 F192 N288 O124 S8 -","8","1","","Wright, James S.; Metherell, Alexander J.; Cullen, William M.; Piper, Jerico R.; Dawson, Robert; Ward, Michael D.","Highly selective CO2vs. N2 adsorption in the cavity of a molecular coordination cage.","Chemical communications (Cambridge, England)","2017","53","31","4398","4401","10.1039/c7cc01959a","","","0.71073","MoKα","","0.1999","0.1637","","","0.4755","0.5147","","","","","","2.121","","","","has coordinates,has disorder","196215","2020-10-21","18:00:00",""
"7120084","9.93003","0.00015","10.15945","0.00019","35.2869","0.0006","90","","90","","90","","3559.87","0.1","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N3 Ni O4 -","- C38 H53 N3 Ni O4 -","- C152 H212 N12 Ni4 O16 -","4","1","","Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.","Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.","Chemical communications (Cambridge, England)","2017","53","31","4308","4311","10.1039/c7cc01655g","","x-ray","1.54184","CuKα","","0.0451","0.0391","","","0.081","0.0836","","","","","","1.056","","","","has coordinates","196216","2020-10-21","18:00:00",""
"7120085","11.68973","0.00013","11.68973","0.00013","54.0604","0.0008","90","","90","","90","","7387.34","0.16","120","1","120","1","","","","","","","","6","P 41","P 4w","76","","","","- C28 H30 F N3 Ni O2 -","- C28 H30 F N3 Ni O2 -","- C336 H360 F12 N36 Ni12 O24 -","12","3","","Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.","Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.","Chemical communications (Cambridge, England)","2017","53","31","4308","4311","10.1039/c7cc01655g","","x-ray","0.71073","MoKα","","0.0522","0.0417","","","0.0666","0.0698","","","","","","1.035","","","","has coordinates","196216","2020-10-21","18:00:00",""
"7120086","12.615","0.005","9.87","0.004","19.82","0.009","90","","102.263","0.01","90","","2411.5","1.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N O -","- C31 H24 Br N O -","- C124 H96 Br4 N4 O4 -","4","2","","Zhang, Zhao-Fei; Chen, Kun-Quan; Zhang, Chun-Lin; Ye, Song","N-heterocyclic carbene-catalyzed synthesis of spirocyclopentene-oxindoles from bromoenals.","Chemical communications (Cambridge, England)","2017","53","31","4327","4330","10.1039/c6cc10304a","","","0.71073","MoKα","","0.1248","0.1015","","","0.1448","0.155","","","","","","1.165","","","","has coordinates","196217","2020-10-21","18:00:00",""
"7120087","12.036","0.006","12.136","0.006","15.462","0.008","88.24","0.02","88.46","0.02","61.525","0.018","1984.2","1.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 F3 Fe I4 N5 O2 -","- C40 H25 F3 Fe I4 N5 O2 -","- C80 H50 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0741","0.0522","","","0.131","0.149","","","","","","1.109","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120088","11.93","0.005","12.043","0.005","15.325","0.008","87.97","0.03","87.94","0.02","61.717","0.014","1937.3","1.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 F3 Fe I4 N5 O2 -","- C40 H25 F3 Fe I4 N5 O2 -","- C80 H50 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0293","0.0231","","","0.0476","0.0495","","","","","","1.064","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120089","15.329","0.002","11.1082","0.0013","22.03","0.003","90","","99.428","0.006","90","","3700.5","0.8","298","","298","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C152 H88 Cl4 F12 Fe4 I12 N16 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0928","0.0605","","","0.1136","0.1384","","","","","","1.131","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120090","32.99","0.02","8.951","0.005","21.269","0.015","90","","110.76","0.02","90","","5873","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl Fe N4 O4 -","- C33 H26 Cl Fe N4 O4 -","- C264 H208 Cl8 Fe8 N32 O32 -","8","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","x-ray","0.71073","MoKα","","0.2309","0.1553","","","0.3315","0.3649","","","","","","1.137","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120091","15.196","0.003","11.037","0.003","21.847","0.005","90","","100.126","0.007","90","","3607.1","1.5","99.86","","99.86","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C152 H88 Cl4 F12 Fe4 I12 N16 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0946","0.0674","","","0.1216","0.1339","","","","","","1.277","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120092","6.5747","0.0005","16.8602","0.0009","10.7211","0.0007","90","","93.733","0.007","90","","1185.92","0.14","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 Cl O3 -","- C28 H25 Cl O3 -","- C56 H50 Cl2 O6 -","2","1","","Jia, Zhi-Long; Wang, Yao; Xu, Guo-Qiang; Xu, Peng-Fei","Kinetic resolution via supramolecular iminium catalysis: multiactivation enables the asymmetric synthesis of β-aryl substituted aldehydes and densely functionalized cyclohexanes.","Chemical communications (Cambridge, England)","2017","53","36","4938","4941","10.1039/c7cc01625e","","x-ray","0.71073","MoKα","","0.0959","0.0558","","","0.1042","0.1261","","","","","","1.034","","","","has coordinates","196219","2020-10-21","18:00:00",""
"7120093","6.7285","0.0002","12.4807","0.0004","17.2061","0.0008","107.908","0.0013","91.531","0.0015","99.84","0.002","1349.83","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Para-tolyl substituted 1,4,9b-triazaphenalene","5-amino-2,8-bis-p-tolyl-1,4,9b-triazaphenalene-3,6,7,9-tetracarbonitrile","","- C32.5 H24 N8 O -","- C32.5 H20 N8 O -","- C65 H40 N16 O2 -","2","1","","Kuznetsov, Iliya E.; Susarova, Diana K.; Frolova, Lyubov A.; Peregudov, Alexander S.; Shestakov, Alexander F.; Troyanov, Sergey I.; Stevenson, Keith J.; Troshin, Pavel A.","Unprecedented thermal condensation of tetracyanocyclopropanes to triazaphenalenes: a facile route for the design of novel materials for electronic applications.","Chemical communications (Cambridge, England)","2017","53","35","4830","4833","10.1039/c6cc10179h","","","0.905","synchrotron","","0.1136","0.107","","","0.2788","0.2806","","","","","","1.071","","","","has coordinates","196220","2020-10-21","18:00:00",""
"7120094","5.18168","0.00013","17.7177","0.0004","18.7318","0.0004","90","","90","","90","","1719.72","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wang, Cheng-Yong; Pan, Gao-Hui; Chen, Fan; Li, Jin-Heng","Oxidative cyclization of 2-allenyl-1,1'-biphenyls with α-carbonyl alkyl bromides: facile access to functionalized phenanthrenes.","Chemical communications (Cambridge, England)","2017","53","34","4730","4733","10.1039/c7cc00483d","","","1.54184","CuKα","","0.0574","0.0513","","","0.1423","0.149","","","","","","1.066","","","","has coordinates","196221","2020-10-21","18:00:00",""
"7120095","29.251","0.003","7.0232","0.0007","16.65","0.0017","90","","122.044","0.001","90","","2899.4","0.5","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C120 H112 F24 N8 O16 -","8","1","","Tomita, Ren; Koike, Takashi; Akita, Munetaka","Photoredox-catalyzed oxytrifluoromethylation of allenes: stereoselective synthesis of 2-trifluoromethylated allyl acetates.","Chemical communications (Cambridge, England)","2017","53","34","4681","4684","10.1039/c7cc01759f","","","0.71073","MoKα","","0.0339","0.0308","","","0.0781","0.0804","","","","","","1.077","","","","has coordinates","196222","2020-10-21","18:00:00",""
"7120355","8.006","0.002","16.07","0.005","19.305","0.005","99.05","0.015","94.685","0.017","90.749","0.017","2443.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C108 H126 N6 O24 S6 -","6","3","","Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji","Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.","Chemical communications (Cambridge, England)","2017","53","53","7238","7241","10.1039/c7cc02494k","","","0.71073","MoKα","","0.0636","0.0499","","","0.1216","0.1279","","","","","","1.095","","","","has coordinates","198272","2020-10-21","18:00:00",""
"7120356","11.2917","0.0004","14.5436","0.0005","12.4181","0.0005","90","","108.78","0.0016","90","","1930.76","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji","Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.","Chemical communications (Cambridge, England)","2017","53","53","7238","7241","10.1039/c7cc02494k","","","0.71073","MoKα","","0.0478","0.0375","","","0.0964","0.1036","","","","","","1.062","","","","has coordinates","198272","2020-10-21","18:00:00",""
"7125163","18.67834","0.00016","21.44845","0.00018","21.13621","0.00017","90","","90","","90","","8467.62","0.12","120","2","120","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C52 H58 Mn O -","- C52 H58 Mn O -","- C416 H464 Mn8 O8 -","8","0.5","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0814","0.0839","","","","","","1.053","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125164","18.6528","0.0002","43.7692","0.0005","10.50646","0.00011","90","","90","","90","","8577.66","0.16","120","2","120","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C52 H58 Fe O -","- C52 H58 Fe O -","- C416 H464 Fe8 O8 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0512","0.0456","","","0.1038","0.1067","","","","","","1.078","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125165","5.8071","0.0004","27.443","0.002","12.2554","0.0008","90","","90","","90","","1953.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C24 H25 I -","- C24 H25 I -","- C96 H100 I4 -","4","0.5","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0534","0.0471","","","0.122","0.1261","","","","","","1.131","","","","has coordinates","234567","2020-10-21","18:00:00",""
"7125166","12.4731","0.0002","12.4731","0.0002","48.7421","0.0015","90","","90","","90","","7583.2","0.3","120","2","120","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C48 H50 Li2 -","- C48 H50 Li2 -","- C384 H400 Li16 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0918","0.0951","","","","","","1.033","","","","has coordinates","234567","2020-10-21","18:00:00",""
"7125167","31.251","0.002","12.6345","0.001","16.0331","0.0012","90","","99.824","0.007","90","","6237.7","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N O3 -","- C36 H42 N O3 -","- C288 H336 N8 O24 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.1059","0.0587","","","0.138","0.1692","","","","","","1.039","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125310","53.688","0.007","53.688","0.007","53.688","0.007","90","","90","","90","","154750","3","296","2","296","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- O805 Sr48 U96 -","- O805 Rb18 Sr30 U96 -","- O6440 Rb144 Sr240 U768 -","8","0.0416667","","Falaise, Clément; Hickam, Sarah M.; Burns, Peter C.; Nyman, May","From aqueous speciation to supramolecular assembly in alkaline earth-uranyl polyoxometalates.","Chemical communications (Cambridge, England)","2017","53","69","9550","9553","10.1039/c7cc05357f","","","0.71073","MoKα","","0.1599","0.0757","","","0.1873","0.2359","","","","","","1.066","","","","has coordinates","235590","2020-10-21","18:00:00",""
"7125311","18.282","0.003","18.282","0.003","26.436","0.006","90","","90","","90","","8836","3","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ca6 Li8 O172 U24 -","- Ca6 Li8 O172 U24 -","- Ca12 Li16 O344 U48 -","2","0.125","","Falaise, Clément; Hickam, Sarah M.; Burns, Peter C.; Nyman, May","From aqueous speciation to supramolecular assembly in alkaline earth-uranyl polyoxometalates.","Chemical communications (Cambridge, England)","2017","53","69","9550","9553","10.1039/c7cc05357f","","","0.71073","MoKα","","0.0811","0.0644","","","0.1621","0.1731","","","","","","1.125","","","","has coordinates","235590","2020-10-21","18:00:00",""
"7125312","22.924","0.028","20.536","0.021","7.7158","0.0017","90","","90","","90","","3632","6","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H24 Cu F6 N4 Ti -","- C112 H96 Cu4 F14 N12 Ti -","- C448 H384 Cu16 F56 N48 Ti4 -","4","0.25","","Bajpai, Alankriti; O'Nolan, Daniel; Madden, David G.; Chen, Kai-Jie; Pham, Tony; Kumar, Amrit; Lusi, Matteo; Perry, John J.; Space, Brian; Zaworotko, Michael J.","The effect of centred versus offset interpenetration on C<sub>2</sub>H<sub>2</sub> sorption in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","84","11592","11595","10.1039/c7cc05882a","powder diffraction","x-ray","0.8262","","","","","","","","","0.96111","","5.79","","","","","","","has coordinates","235592","2020-10-21","18:00:00",""
"7125313","48.1642","0.0008","48.1642","0.0008","48.1642","0.0008","90","","90","","90","","111731","3","293","2","293","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C24 H12 N3 Na2.58333 O6 -","- C24 H12 N3 Na2.58333 O6 -","- C2304 H1152 N288 Na248 O576 -","96","1","","Chen, Di-Ming; Tian, Jia-Yue; Wang, Zhuo-Wei; Liu, Chun-Sen; Chen, Min; Du, Miao","An anionic Na(i)-organic framework platform: separation of organic dyes and post-modification for highly sensitive detection of picric acid.","Chemical communications (Cambridge, England)","2017","53","77","10668","10671","10.1039/c7cc06073d","","","1.54184","CuKα","","0.1252","0.0954","","","0.2603","0.2877","","","","","","0.868","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7125314","10.924","0.004","15.753","0.007","27.04","0.009","90","","90","","90","","4653","3","103","2","103","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H66 B2 N4 O4 -","- C54 H66 B2 N4 O4 -","- C216 H264 B8 N16 O16 -","4","0.25","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0629","0.0456","","","0.1041","0.1123","","","","","","1.025","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125315","9.595","0.004","24.297","0.01","16.928","0.011","90","","106.09","0.02","90","","3792","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 F2 N4 -","- C42 H62 B2 F2 N4 -","- C168 H248 B8 F8 N16 -","4","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0548","0.0405","","","0.0942","0.1028","","","","","","1.023","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125316","9.198","0.002","10.869","0.002","16.114","0.004","97.766","0.014","102.763","0.008","100.085","0.008","1521.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 B2 Cl2 N2 -","- C32 H46 B2 Cl2 N2 -","- C64 H92 B4 Cl4 N4 -","2","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0397","0.0344","","","0.0923","0.0966","","","","","","1.052","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125317","12.362","0.003","12.362","0.003","38.073","0.007","90","","90","","90","","5818","2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H42 B2 Cl2 N2 -","- C30 H42 B2 Cl2 N2 -","- C240 H336 B16 Cl16 N16 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0348","0.0302","","","0.0695","0.0714","","","","","","1.062","","","","has coordinates","235599","2020-10-21","18:00:00",""