# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T21:13:22+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 science') AND volume = 9 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
"1547705","9.9819","0.0002","19.8256","0.0004","20.6783","0.0004","90","","91.212","0.002","90","","4091.26","0.14","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H23 Cl8 Dy N5 Na O5 -","- C39 H23 Cl8 Dy N5 Na O5 -","- C156 H92 Cl32 Dy4 N20 Na4 O20 -","4","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0924","0.0582","","","0.1059","0.1273","","","","","","1.156","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547706","15.8989","0.0016","16.0286","0.0016","19.542","0.002","98.384","0.009","91.201","0.009","118.115","0.01","4322.5","0.9","120","2","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H58 Cl16 Dy2 K N11 O8 -","- C84 H58 Cl16 Dy2 K N11 O8 -","- C168 H116 Cl32 Dy4 K2 N22 O16 -","2","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.2146","0.0946","","","0.1231","0.1898","","","","","","0.996","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547707","36.1061","0.0011","11.5705","0.0003","22.7831","0.0006","90","","109.429","0.003","90","","8976","0.5","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl8 Dy N5 O4 -","- C44 H36 Cl8 Dy N5 O4 -","- C352 H288 Cl64 Dy8 N40 O32 -","8","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0364","0.0276","","","0.0527","0.0579","","","","","","1.101","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547767","10.86","0.001","12.7006","0.0011","14.3671","0.0013","73.501","0.01","72.779","0.011","89.315","0.011","1809.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Aluminumtris(decafluordiphenylamide)","","","- C36 Al F30 N3 -","- C36 Al F30 N3 -","- C72 Al2 F60 N6 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0661","0.0375","","","0.0839","0.0914","","","","","","0.853","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547768","14.4989","0.0014","18.051","0.002","21.909","0.002","84.427","0.013","73.249","0.012","67.033","0.012","5054.7","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H31 Al2 F62 Li N6 -","- C105 H31 Al2 F62 Li N6 -","- C210 H62 Al4 F124 Li2 N12 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1244","0.0538","","","0.1268","0.1483","","","","","","0.793","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547769","7.9908","0.0007","20.611","0.003","22.8236","0.0019","90","","108.292","0.007","90","","3569.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Galliumtris(decafluordiphenylamide)","","","- C36 F30 Ga N3 -","- C36 F30 Ga N3 -","- C144 F120 Ga4 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1886","0.0509","","","0.0984","0.1359","","","","","","0.712","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547770","13.0294","0.0005","26.0373","0.0007","16.8481","0.0006","90","","92.421","0.003","90","","5710.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cesiumtris(decafluordiphenylamide)fluoroaluminate","","","- C57 H24 Al Cs F31 N3 -","- C57 H24 Al Cs F31 N3 -","- C228 H96 Al4 Cs4 F124 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71069","MoKα","","0.0828","0.0601","","","0.1657","0.1779","","","","","","1.097","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547771","11.2887","0.0005","13.9044","0.0007","20.9274","0.0011","98.126","0.002","103.279","0.002","111.821","0.001","2873","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tetraphenylarsoniumtris(decafluordiphenylamide)chlorogallate","","","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","1","0.5","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0664","0.0375","","","0.0853","0.1042","","","","","","1.074","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547772","19.555","0.006","6.165","0.002","10.117","0.003","90","","98.628","0.006","90","","1205.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0778","0.0608","","","0.1477","0.1618","","","","","","1.002","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547773","27.159","0.013","7.49","0.004","9.539","0.005","90","","106.51","0.008","90","","1860.4","1.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0998","0.0735","","","0.2312","0.2723","","","","","","1.08","","","","has coordinates,has disorder","228724","2020-10-21","18:00:00",""
"1547774","8.6745","0.0003","9.6624","0.0004","13.8499","0.0005","86.795","0.003","81.245","0.003","81.324","0.003","1133.55","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H36 Cl O P Pd -","- C21 H36 Cl O P Pd -","- C42 H72 Cl2 O2 P2 Pd2 -","2","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0333","0.0284","","","0.0627","0.0658","","","","","","1.052","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547775","12.295","0.005","5.569","0.002","18.014","0.007","90","","101.033","0.006","90","","1210.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0557","0.0436","","","0.0978","0.1058","","","","","","1.003","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547805","35.5176","0.0009","4.6594","0.0001","23.3989","0.0006","90","","116.089","0.001","90","","3477.76","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19.5 N3 O0.5 -","- C21 H19.5 N3 O0.5 -","- C168 H156 N24 O4 -","8","1","","Li, Wanfang; Boon, Jie Kang; Zhao, Yu","Nickel-catalyzed difunctionalization of allyl moieties using organoboronic acids and halides with divergent regioselectivities.","Chemical science","2018","9","3","600","607","10.1039/c7sc03149a","","","1.54178","CuKα","","0.0583","0.0467","","","0.1159","0.1232","","","","","","1.053","","","","has coordinates","228869","2020-10-21","18:00:00",""
"1547835","8.3146","0.0004","11.1767","0.0005","16.4216","0.0007","90","","90","","90","","1526.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-11-methoxy-7-methyl-1,2,3,5,6,7-hexahydro-4H-benzo[3,4] cyclohepta[1,2-b]benzofuran-4-one","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joyce, Leo A.; Nawrat, Christopher C.; Sherer, Edward C.; Biba, Mirlinda; Brunskill, Andrew; Martin, Gary E.; Cohen, Ryan D.; Davies, Ian W.","Beyond optical rotation: what's left is not always right in total synthesis.","Chemical science","2018","9","2","415","424","10.1039/c7sc04249c","","","1.54178","CuKα","","0.0245","0.0243","","","0.0622","0.0624","","","","","","1.089","","","","has coordinates","228725","2020-10-21","18:00:00",""
"1547836","27.352","0.012","15.144","0.007","13.336","0.006","90","","116.222","0.007","90","","4956","4","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Co Fe2 N14 O2 -","- C50 H34 Co Fe2 N14 O2 -","- C200 H136 Co4 Fe8 N56 O8 -","4","0.5","","Jiang, Wenjing; Jiao, Chengqi; Meng, Yinshan; Zhao, Liang; Liu, Qiang; Liu, Tao","Switching single chain magnet behavior <i>via</i> photoinduced bidirectional metal-to-metal charge transfer.","Chemical science","2018","9","3","617","622","10.1039/c7sc03401f","","","0.71073","MoKα","","0.0763","0.0496","","","0.1533","0.1695","","","","","","1.07","","","","has coordinates","228872","2020-10-21","18:00:00",""
"1547843","8.3521","0.0017","12.418","0.002","20.681","0.004","90","","97.923","0.004","90","","2124.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F2 N2 O2 -","- C26 H22 F2 N2 O2 -","- C104 H88 F8 N8 O8 -","4","1","","Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei","Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process.","Chemical science","2018","9","2","502","512","10.1039/c7sc03765a","","","0.71073","MoKα","","0.115","0.0488","","","0.1254","0.1594","","","","","","0.974","","","","has coordinates","228723","2020-10-21","18:00:00",""
"1547871","5.9414","0.0011","15.879","0.003","19.207","0.004","90","","94.096","0.003","90","","1807.4","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O S -","- C19 H24 N4 O S -","- C76 H96 N16 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0791","0.0461","","","0.0991","0.1139","","","","","","1.01","","","","has coordinates","228722","2020-10-21","18:00:00",""
"1547872","16.166","0.004","8.073","0.002","12.176","0.003","90","","99.741","0.004","90","","1566.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C68 H76 N12 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0836","0.0433","","","0.1016","0.1188","","","","","","1.005","","","","has coordinates","228722","2020-10-21","18:00:00",""
"1547877","11.81","0.00016","16.5659","0.0002","18.388","0.0002","90","","92.9627","0.0013","90","","3592.68","0.08","183","7","183","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu F9 O9 S3 -","- C30 H26 Eu F9 O9 S3 -","- C120 H104 Eu4 F36 O36 S12 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.0362","0.0251","","","0.0512","0.0573","","","","","","1.075","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547878","10.5124","0.0003","18.3614","0.0005","18.9788","0.0005","90","","98.264","0.002","90","","3625.29","0.17","180","0.14","180","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F9 O9 S3 Y -","- C30 H26 F9 O9 S3 Y -","- C120 H104 F36 O36 S12 Y4 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.075","0.0441","","","0.0943","0.1078","","","","","","1.035","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547879","13.7492","0.0004","20.1925","0.0003","25.829","0.0006","90","","90.402","0.002","90","","7170.7","0.3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H46 Cl2 Eu F24 N5 O6 -","- C71 H44 Eu F24 N5 O6 -","- C284 H176 Eu4 F96 N20 O24 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.1028","0.0605","","","0.1418","0.1576","","","","","","0.99","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547880","8.38538","0.00015","27.3868","0.0004","18.8875","0.0003","90","","102.271","0.0017","90","","4238.4","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H17 Eu F24 O9 -","- C36 H17 Eu F24 O9 -","- C144 H68 Eu4 F96 O36 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.07","0.0607","","","0.1574","0.1688","","","","","","1.022","","","","has coordinates","228726","2020-10-21","18:00:00",""
"1547881","8.4028","0.0011","11.9498","0.0009","17.1489","0.0017","90","","94.163","0.01","90","","1717.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 Ni -","- C19 H19 Br N2 Ni -","- C76 H76 Br4 N8 Ni4 -","4","1","","Jia, Xue-Gong; Guo, Peng; Duan, Jicheng; Shu, Xing-Zhong","Dual nickel and Lewis acid catalysis for cross-electrophile coupling: the allylation of aryl halides with allylic alcohols.","Chemical science","2018","9","3","640","645","10.1039/c7sc03140h","","","0.71073","MoKα","","0.1312","0.0781","","","0.1586","0.1843","","","","","","1.052","","","","has coordinates","228868","2020-10-21","18:00:00",""
"1547882","8.7005","0.0008","10.2416","0.001","11.4433","0.0009","76.304","0.003","83.414","0.003","75.816","0.003","958.74","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0785","0.0481","","","0.0998","0.112","","","","","","1.049","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547883","5.9171","0.0004","24.525","0.002","13.126","0.001","90","","95.432","0.002","90","","1896.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.075","0.0502","","","0.1055","0.1143","","","","","","1.022","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547884","10.5469","0.0018","20.177","0.003","10.7298","0.0017","90","","114.01","0.004","90","","2085.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0895","0.0521","","","0.1411","0.1638","","","","","","1.02","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547885","23.476","0.003","10.1603","0.0016","18.561","0.003","90","","118.836","0.005","90","","3878.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0744","0.0538","","","0.1263","0.1369","","","","","","1.035","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547942","10.5132","0.0001","9.6837","0.0001","10.8056","0.0001","90","","93.347","0.001","90","","1098.21","0.019","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0505","0.0499","","","0.1275","0.1285","","","","","","1.025","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547943","6.6941","0.0002","8.926","0.0004","18.2322","0.0006","90","","92.895","0.003","90","","1088.01","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0692","0.0686","","","0.1811","0.1827","","","","","","1.082","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547944","12.3416","0.0003","17.221","0.0005","16.8272","0.0005","90","","95.88","0.003","90","","3557.55","0.17","293.2","0.1","293.2","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C152 H128 Cl8 N8 O32 -","8","2","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0683","0.0623","","","0.169","0.1806","","","","","","1.017","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1548021","11.91","0.003","12.221","0.003","15.587","0.004","69.947","0.003","81.802","0.003","66.513","0.003","1954.6","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","W2Co3-1D","","","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","1","0.5","","Zhang, Yuan-Zhu; Dolinar, Brian S.; Liu, Shihao; Brown, Andrew J.; Zhang, Xuan; Wang, Zhao-Xi; Dunbar, Kim R.","Enforcing Ising-like magnetic anisotropy <i>via</i> trigonal distortion in the design of a W(v)-Co(ii) cyanide single-chain magnet.","Chemical science","2018","9","1","119","124","10.1039/c7sc02925j","","","0.71073","MoKα","","0.0532","0.0394","","","0.0793","0.086","","","","","","1.03","","","","has coordinates","228671","2020-10-21","18:00:00",""
"1548053","8.2997","0.0003","33.2041","0.0004","12.4646","0.0011","90","","90","","90","","3435","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N -","- C26 H17 N -","- C208 H136 N8 -","8","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0368","0.0336","","","0.1049","0.1091","","","","","","0.929","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548054","7.379","0.006","22.716","0.016","9.381","0.007","90","","111.14","0.02","90","","1466.6","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","0.71073","MoKα","","0.1219","0.1217","","","0.3147","0.3149","","","","","","1.838","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548055","8.5137","0.0002","21.963","0.0006","9.8776","0.0003","90","","104.406","0.0017","90","","1788.9","0.09","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0403","0.036","","","0.1242","0.1303","","","","","","1.12","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548056","7.3384","0.0002","18.5774","0.0006","13.3299","0.0004","90","","90.1024","0.0018","90","","1817.24","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","2","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.08","0.0628","","","0.1697","0.2075","","","","","","1.451","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548064","11.0994","0.0004","8.5265","0.0003","21.7146","0.0008","90","","97.392","0.003","90","","2037.97","0.13","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Fe O3 -","- C27 H24 Fe O3 -","- C108 H96 Fe4 O12 -","4","1","","Wang, Yong; Dansette, Patrick M.; Pigeon, Pascal; Top, Siden; McGlinchey, Michael J.; Mansuy, Daniel; Jaouen, Gérard","A new generation of ferrociphenols leads to a great diversity of reactive metabolites, and exhibits remarkable antiproliferative properties.","Chemical science","2018","9","1","70","78","10.1039/c7sc04213b","","","1.54178","CuKα","","0.0488","0.045","","","0.1183","0.1217","","","","","","1.068","","","","has coordinates","228673","2020-10-21","18:00:00",""
"1548110","17.7719","0.0016","8.1203","0.0007","19.0328","0.0019","90","","110.633","0.011","90","","2570.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Allyl-3-(allylsulfinyl)-1H-indole","","- C14 H15 N O S -","- C14 H15 N O S -","- C112 H120 N8 O8 S8 -","8","2","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.1032","0.0532","","","0.0889","0.1068","","","","","","1.037","","","","has coordinates","228873","2020-10-21","18:00:00",""
"1548111","8.2973","0.0005","9.132","0.0006","9.7066","0.0005","104.937","0.005","100.291","0.005","100.461","0.005","678.86","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2-Allyl-3-(allylsulfinyl)-1-methyl-1H-indole","","- C15 H17 N O S -","- C15 H17 N O S -","- C30 H34 N2 O2 S2 -","2","1","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.0455","0.0366","","","0.089","0.0942","","","","","","1.053","","","","has coordinates","228873","2020-10-21","18:00:00",""
"1548134","12.284","0.004","15.243","0.005","17.55","0.007","100.641","0.004","102.198","0.005","98.202","0.006","3099.8","1.9","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","1","0.5","","Wang, Chen; Tian, Li; Zhu, Wei; Wang, Shiqiang; Gao, Ning; Zhou, Kang; Yin, Xianpeng; Zhang, Wanlin; Zhao, Liang; Li, Guangtao","Molecular cage-bridged plasmonic structures with well-defined nanogaps as well as the capability of reversible and selective guest trapping.","Chemical science","2018","9","4","889","895","10.1039/c7sc03536e","","","0.71073","MoKα","","0.1099","0.0984","","","0.2755","0.2873","","","","","","1.138","","","","has coordinates,has disorder","228718","2020-10-21","18:00:00",""
"1548141","10.207","0.0004","10.6944","0.0004","18.5996","0.0006","94.043","0.003","102.847","0.003","97.904","0.003","1949.89","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 Br10 N8 Sn -","- C16 H56 Br10 N8 Sn -","- C32 H112 Br20 N16 Sn2 -","2","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0651","0.0441","","0.0511","0.0479","0.0511","","","","","","0.9933","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548142","8.75618","0.00018","27.2439","0.0005","10.64297","0.00018","90","","97.3536","0.0017","90","","2518.02","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl5 N2 Sb -","- C18 H40 Cl5 N2 Sb -","- C72 H160 Cl20 N8 Sb4 -","4","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0418","0.0371","","0.0542","0.0529","0.0542","","","","","","0.9984","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548143","10.7464","0.0007","10.8924","0.0007","11.1796","0.0007","64.2658","0.0007","80.1825","0.0007","72.8331","0.0007","1124.94","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","1","0.5","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0178","0.0155","","","0.0341","0.0349","","","","","","1.078","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548144","13.1579","0.0002","37.8588","0.0007","30.9277","0.0005","90","","96.192","0.002","90","","15316.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C247.73 H123.18 N2 -","- C247.727 H123.18 N2 -","- C990.908 H492.72 N8 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1362","0.109","","","0.3079","0.3338","","","","","","1.085","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548145","17.0175","0.0008","28.9186","0.0013","22.7929","0.001","90","","100.484","0.001","90","","11029.6","0.9","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C160 H94 N2 -","- C160 H94 N2 -","- C640 H376 N8 -","4","2","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1356","0.0969","","","0.2411","0.2627","","","","","","1.077","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548236","12.7541","0.0005","13.5008","0.0006","13.6961","0.0006","94.892","0.004","105.455","0.004","113.791","0.004","2029.61","0.18","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 Cl3 O9 -","- C39 H53 Cl3 O9 -","- C78 H106 Cl6 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0995","0.0914","","","0.2714","0.2842","","","","","","1.04","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548237","10.6706","0.001","13.8828","0.0012","14.1078","0.0013","70.567","0.003","84.605","0.003","69.424","0.003","1844.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H54 O9 -","- C39 H54 O9 -","- C78 H108 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","0.71073","MoKα","","0.0904","0.0509","","","0.1095","0.1273","","","","","","1.015","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548238","11.541","0.0002","16.4653","0.0003","32.9338","0.0005","90","","95.72","0.001","90","","6227.12","0.18","100.01","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H44 O6 -","- C34 H44 O6 -","- C272 H352 O48 -","8","4","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54184","CuKα","","0.0732","0.0714","","","0.1899","0.1914","","","","","","1.061","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548239","6.3828","0.0001","14.8993","0.0001","32.605","0.0002","90","","90","","90","","3100.71","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54178","CuKα","","0.0283","0.0278","","","0.0723","0.0727","","","","","","1.044","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548240","12.4836","0.0002","12.5791","0.0002","20.1204","0.0003","90","","90","","90","","3159.56","0.09","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 O7 -","- C34 H46 O7 -","- C136 H184 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0464","0.0456","","","0.1213","0.1222","","","","","","1.043","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548241","6.8237","0.0004","9.6779","0.0006","23.209","0.0013","90","","90","","90","","1532.7","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((S)-2,2-dimethyl-1-(pyridin-2-yl)propyl)-2-((S)-tetrahydrofuran-2-yl)acetamide","","- C16 H23 N2 O2 -","- C16 H23 N2 O2 -","- C64 H92 N8 O8 -","4","1","","Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo","Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp<sup>3</sup>)-O bond formation.","Chemical science","2018","9","6","1473","1480","10.1039/c7sc04691j","","","0.71073","MoKα","","0.0349","0.0338","","","0.0981","0.0995","","","","","","1.084","","","","has coordinates","228732","2020-10-21","18:00:00",""
"1548292","12.383","0.004","18.49","0.007","19.983","0.007","69.381","0.005","79.742","0.005","88.826","0.005","4209","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C164.05 H143.07 Cu2 F36 N29.98 O2.48 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","1","0.5","","Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L.; Chen, Lin X.","Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.","Chemical science","2018","9","4","860","875","10.1039/c7sc04055e","","","0.71073","MoKα","","0.0773","0.0509","","","0.1236","0.1361","","","","","","1.018","","","","has coordinates,has disorder","228719","2020-10-21","18:00:00",""
"1548293","8.281","0.002","27.653","0.007","23.173","0.006","90","","91.817","0.004","90","","5304","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 B3 F20 N4 O2 -","- C53 H45 B3 F20 N4 O2 -","- C212 H180 B12 F80 N16 O8 -","4","1","","Zheng, Junhao; Li, Zhen Hua; Wang, Huadong","Addition of dihydrogen to a borylborenium center.","Chemical science","2018","9","6","1433","1438","10.1039/c7sc04987k","","","0.71073","MoKα","","0.1993","0.0845","","","0.2217","0.3035","","","","","","1.005","","","","has coordinates","228729","2020-10-21","18:00:00",""
"1548345","16.5942","0.0007","8.7199","0.0004","21.4742","0.001","90","","93.516","0.001","90","","3101.5","0.2","123","0.2","123","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N2 O3 S -","- C39 H39 N2 O3 S -","- C156 H156 N8 O12 S4 -","4","1","","Yamamoto, Y.; Murayama, T.; Jiang, J.; Yasui, T.; Shibuya, M.","The vinylogous Catellani reaction: a combined computational and experimental study.","Chemical science","2018","9","5","1191","1199","10.1039/c7sc04265e","","","0.71073","MoKα","","0.0455","0.0371","","","0.094","0.0992","","","","","","1.038","","","","has coordinates,has disorder","228692","2020-10-21","18:00:00",""
"1548346","47.6161","0.0017","31.7486","0.0011","56.289","0.002","90","","111.305","0.0016","90","","79279","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H158 B8 F32 N40 O7 Zn4 -","- C204 H144 B8.02 F32.075 N40 O7 Zn4 -","- C1632 H1152 B64.16 F256.6 N320 O56 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.3793","0.0985","","","0.1935","0.2895","","","","","","0.959","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548347","47.061","0.002","32.0425","0.0014","55.568","0.003","90","","110.406","0.001","90","","78535","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C206 H163 B3.5 F14 I4.5 N41 O8 Zn4 -","- C206 H147 B3.51 F14.04 I4.5 N41 O8 Zn4 -","- C1648 H1176 B28.08 F112.32 I36 N328 O64 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.2945","0.0885","","","0.219","0.2659","","","","","","0.967","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548380","12.842","0.006","21.083","0.005","25.145","0.005","90","","90","","90","","6808","4","173.15","0.1","173.15","0.1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C58 H48 Ag5 F6 N17 O6 S2 -","- C58 H48 Ag5 F6 N17 O6 S2 -","- C232 H192 Ag20 F24 N68 O24 S8 -","4","0.25","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.1871","0.1818","","","0.3393","0.3422","","","","","","1.098","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548381","14.3867","0.0003","15.4794","0.0003","18.9913","0.0006","101.197","0.002","93.2","0.002","94.368","0.002","4125.97","0.18","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H55 Ag5 F6 N17 O6 S2 -","- C59 H55 Ag5 F6 N17 O6 S2 -","- C118 H110 Ag10 F12 N34 O12 S4 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1007","0.0884","","","0.2452","0.2632","","","","","","1.066","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548382","32.1129","0.0019","12.1233","0.0003","24.0913","0.0016","90","","130.309","0.01","90","","7152.2","1.2","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Ag4 F9 N17 O10 S2 -","- C64 H58 Ag4 F9 N17 O10 S2 -","- C256 H232 Ag16 F36 N68 O40 S8 -","4","0.5","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1026","0.0965","","","0.248","0.2531","","","","","","1.136","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548383","14.8347","0.0003","15.7643","0.0003","18.6915","0.0004","96.459","0.002","93.928","0.002","95.369","0.002","4310.55","0.15","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C147 H136 Ag10 F18 N36 O25 S6 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.0573","0.0534","","","0.1529","0.1578","","","","","","1.021","","","","has coordinates","228733","2020-10-21","18:00:00",""
"1548384","13.189","0.003","13.561","0.003","28.427","0.006","103.51","0.03","90.23","0.03","118.57","0.03","4302","2","173.15","0.1","173.15","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C126 H110 Ag10 Cl9 F24 N34 O26.5 S8 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0868","0.0795","","","0.1949","0.2003","","","","","","1.14","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548385","14.3943","0.0004","31.0527","0.0014","22.6971","0.0008","90","","125.685","0.002","90","","8240.3","0.6","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H57 Ag5 F9 N17 O9 S3 -","- C67 H57 Ag5 F9 N17 O9 S3 -","- C268 H228 Ag20 F36 N68 O36 S12 -","4","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.2674","0.213","","","0.5017","0.5615","","","","","","1.092","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548386","12.278","0.003","25.145","0.005","12.408","0.003","90","0.03","117.31","0.03","90","0.03","3403.7","1.6","173.15","","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C58 H53 Ag5 F6 N17 O6 S2 -","- C58 H53 Ag5 F6 N17 O6 S2 -","- C116 H106 Ag10 F12 N34 O12 S4 -","2","2","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0954","0.0889","","","0.218","0.226","","","","","","1.027","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548387","20.6668","0.001","20.6668","0.001","16.8568","0.0009","90","","90","","90","","7199.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0353","0.0296","","","0.0754","0.0784","","","","","","1.052","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548388","17.794","0.004","19.121","0.004","19.042","0.004","90","","116.941","0.015","90","","5776","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co3(dpa)4(MeCN)2][As2(tart)2] acetonitrile solvate","","","- C56 H48 As2 Co3 N16 O12 -","- C56 H48 As2 Co3 N16 O12 -","- C224 H192 As8 Co12 N64 O48 -","4","0.5","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0324","0.0262","","","0.0662","0.0693","","","","","","1.061","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548389","11.7226","0.0009","21.8073","0.0017","12.0149","0.0009","90","","112.115","0.003","90","","2845.5","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 Co3 F12 N15 O P2 -","- C50 H51 Co3 F12 N15 O P2 -","- C100 H102 Co6 F24 N30 O2 P4 -","2","1","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0327","0.0303","","","0.0807","0.0821","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548390","20.6481","0.001","20.6481","0.001","16.8896","0.0009","90","","90","","90","","7200.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0223","0.0198","","","0.0502","0.0512","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548396","39.7584","0.0002","39.7584","0.0002","39.7584","0.0002","90","","90","","90","","62847.3","0.5","293","2","293","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H30 N4 Ni2 O15 S -","- C28 H30 N4 Ni2 O15 S -","- C1344 H1440 N192 Ni96 O720 S48 -","48","1","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.09","0.0721","","","0.1988","0.2155","","","","","","1.022","","","","has coordinates","228714","2020-10-21","18:00:00",""
"1548397","46.6983","0.0003","46.6983","0.0003","46.6983","0.0003","90","","90","","90","","101836","1.1","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C36 H20 Co2 N6 O15 -","- C36 H21 Co2 N6 O15 -","- C1728 H1008 Co96 N288 O720 -","48","0.25","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.2094","0.1495","","","0.3603","0.444","","","","","","1.059","","","","has coordinates,has disorder","228714","2020-10-21","18:00:00",""
"1548407","13.932","0.003","15.014","0.003","14.827","0.003","90","","107.69","0.03","90","","2954.8","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0769","0.0399","","","0.0653","0.0753","","","","","","1.004","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548408","13.937","0.003","15.046","0.003","14.786","0.003","90","","107.46","0.03","90","","2957.7","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C88 H88 B8 Cl12 N48 O8 Y4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0969","0.0478","","","0.1054","0.1203","","","","","","1.029","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548409","14.15","0.003","15.225","0.003","14.969","0.003","90","","107.75","0.03","90","","3071.3","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C88 H88 B8 Cl12 Gd4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.2825","0.0933","","","0.0989","0.1463","","","","","","0.814","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548410","14.003","0.003","15.079","0.003","14.825","0.003","90","","107.59","0.03","90","","2984","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C88 H88 B8 Cl12 N48 O8 Tb4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0683","0.0405","","","0.096","0.1078","","","","","","1.045","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548427","17.6","0.002","19.466","0.002","20.232","0.003","90","","96.305","0.002","90","","6889.6","1.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C304 H384 B16 N16 O16 -","8","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0994","0.0749","","","0.1645","0.1804","","","","","","1.128","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548428","11.335","0.004","10.991","0.004","35.202","0.013","90","","95.263","0.005","90","","4367","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1014","0.0829","","","0.1914","0.2045","","","","","","1.151","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548429","8.723","0.0016","23.773","0.004","13.264","0.003","90","","99.499","0.003","90","","2712.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B2 N O2 -","- C29 H39 B2 N O2 -","- C116 H156 B8 N4 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0811","0.0652","","","0.157","0.1711","","","","","","1.129","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548430","10.134","0.003","18.98","0.006","13.58","0.004","90","","96.976","0.006","90","","2592.7","1.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B2 N2 O2 -","- C28 H38 B2 N2 O2 -","- C112 H152 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0829","0.0632","","","0.1424","0.156","","","","","","1.105","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548431","8.4242","0.0016","15.698","0.003","28.081","0.005","89.956","0.007","87.717","0.006","89.896","0.006","3710.6","1.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 B2 N2 O4 -","- C40 H50 B2 N2 O4 -","- C160 H200 B8 N8 O16 -","4","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1958","0.0962","","","0.1939","0.2616","","","","","","1.061","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548432","10.951","0.002","14.21","0.003","16.118","0.003","104.201","0.003","92.6541","0.0011","111.94","0.003","2228.7","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.102","0.059","","","0.1245","0.1501","","","","","","0.986","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548433","10.6242","0.0017","20.635","0.004","22.708","0.004","90","","100.578","0.003","90","","4893.7","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B2 N3 O2 -","- C54 H69 B2 N3 O2 -","- C216 H276 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1416","0.0985","","","0.2623","0.3028","","","","","","1.115","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548434","10.981","0.002","10.43","0.002","28.55","0.006","90","","94.578","0.004","90","","3259.5","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1068","0.0762","","","0.1771","0.1986","","","","","","1.065","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548435","15.319","0.002","13.7912","0.0018","17.481","0.003","90","","112.051","0.002","90","","3423","0.9","93.15","","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0847","0.0603","","","0.1402","0.1588","","","","","","1.032","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548436","8.565","0.003","33.036","0.012","11.991","0.005","90","","90.444","0.004","90","","3393","2","93.15","","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C152 H192 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1455","0.0904","","","0.1686","0.1963","","","","","","1.101","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548437","14.692","0.007","11.21","0.005","27.115","0.012","90","","105.567","0.007","90","","4302","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1242","0.0985","","","0.2047","0.2199","","","","","","1.198","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548438","11.4491","0.0018","12.8149","0.0017","15.929","0.002","74.652","0.008","86.76","0.008","65.452","0.005","2046.2","0.5","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 B2 N2 O4 -","- C45 H62 B2 N2 O4 -","- C90 H124 B4 N4 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1155","0.075","","","0.2066","0.2377","","","","","","0.968","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548439","8.034","0.003","10.856","0.004","26.173","0.01","97.069","0.005","97.132","0.008","102.212","0.009","2187.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1616","0.0897","","","0.1617","0.203","","","","","","1.06","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548440","11.821","0.003","12.93","0.003","16.755","0.004","101.05","0.003","95.8819","0.0019","111.862","0.003","2289.8","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H63 B2 N3 O2 -","- C53 H63 B2 N3 O2 -","- C106 H126 B4 N6 O4 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1247","0.0652","","","0.1318","0.1605","","","","","","0.989","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548441","16.004","0.004","21.403","0.005","32.93","0.008","90","","90","","90","","11280","5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C468 H564 B24 F36 N24 O24 -","12","3","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0961","0.0893","","","0.2177","0.2235","","","","","","1.143","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548442","14.252","0.003","17.527","0.003","14.877","0.003","90","","93.855","0.003","90","","3707.8","1.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C156 H188 B8 F12 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1162","0.0767","","","0.1719","0.1975","","","","","","1.101","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548443","9.894","0.003","12.714","0.004","16.323","0.004","101.384","0.005","91.511","0.004","100.757","0.004","1973.3","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","1","0.5","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1217","0.0659","","","0.135","0.1656","","","","","","0.992","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548444","10.777","0.005","8.468","0.004","38.298","0.017","90","","95.088","0.007","90","","3481","3","93.15","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 B2 Cl N2 O2 -","- C38 H47 B2 Cl N2 O2 -","- C152 H188 B8 Cl4 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1323","0.0983","","","0.1784","0.1962","","","","","","1.163","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548445","19.208","0.003","13.253","0.002","16.091","0.003","90","","90","","90","","4096.2","1.2","93.15","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H64 B2 N2 O3 -","- C45 H64 B2 N2 O3 -","- C180 H256 B8 N8 O12 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0952","0.07","","","0.151","0.1669","","","","","","1.025","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548455","10.3192","0.0003","11.0867","0.0004","17.4057","0.0006","90","","90","","90","","1991.31","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0296","0.028","","","0.0682","0.0691","","","","","","1.095","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548456","6.1094","0.0003","14.2823","0.0006","19.8409","0.0008","90","","90","","90","","1731.24","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0303","0.0285","","","0.0687","0.0698","","","","","","1.091","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548457","7.9717","0.0003","9.2791","0.0004","14.2492","0.0006","95.3798","0.0016","105.336","0.0017","98.2795","0.0016","996.24","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0387","0.0321","","","0.0768","0.0805","","","","","","1.038","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548458","9.495","0.0003","8.8357","0.0003","12.0617","0.0004","90","","90.258","0.002","90","","1011.91","0.06","97","2","97","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0418","0.0337","","","0.0753","0.0786","","","","","","1.016","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548459","23.2043","0.001","30.9754","0.0012","14.803","0.0006","90","","90","","90","","10639.8","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C106 H66 B4 F40 O2 P2 -","- C106 H66 B4 F40 O2 P2 -","- C424 H264 B16 F160 O8 P8 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.1371","0.1081","","","0.1951","0.2058","","","","","","1.161","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548460","11.163","0.0005","16.2067","0.0008","24.8378","0.0011","76.432","0.001","87.505","0.002","76.034","0.002","4238.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H62 B4 F40 O2 P2 -","- C88 H62 B4 F40 O2 P2 -","- C176 H124 B8 F80 O4 P4 -","2","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.0589","0.039","","","0.0786","0.086","","","","","","1.024","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548461","17.6792","0.0014","8.532","0.0007","19.5972","0.0015","90","","99.052","0.004","90","","2919.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 B F10 P -","- C31 H32 B F10 P -","- C124 H128 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.0634","0.045","","","0.0939","0.1002","","","","","","1.035","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548462","13.2212","0.0008","16.1944","0.0012","19.5088","0.0013","90","","94.223","0.002","90","","4165.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F10 P -","- C40 H34 B F10 P -","- C160 H136 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1101","0.0607","","","0.1257","0.1436","","","","","","1.02","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548463","13.2091","0.0005","14.4202","0.0006","17.4143","0.0007","102.465","0.002","96.491","0.002","91.561","0.002","3213.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","2","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1963","0.1255","","","0.2056","0.2457","","","","","","1.206","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548464","12.2916","0.0001","38.2278","0.0004","34.996","0.0004","90","","90.268","0.003","90","","16443.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C141 H111 B6 F60 O3 P3 -","- C141 H111 B6 F60 O3 P3 -","- C564 H444 B24 F240 O12 P12 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1379","0.0834","","","0.1772","0.201","","","","","","1.049","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548465","38.4015","0.0012","38.4015","0.0012","38.4015","0.0012","90","","90","","90","","56630","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Mn3 N12 O70 Zr12 -","- C144 H72 Mn3 N12 O70 Zr12 -","- C576 H288 Mn12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.1566","0.1445","","","0.4146","0.4351","","","","","","2.027","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548466","38.672","0.001","38.672","0.001","38.672","0.001","90","","90","","90","","57835","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Mn","","- C144 H72 Mn3 N12 O52 Zr12 -","- C144 H72 Mn3 N12 O52 Zr12 -","- C576 H288 Mn12 N48 O208 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.0949","0.0844","","","0.2432","0.2639","","","","","","1.034","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548488","12.5175","0.0011","13.082","0.0012","13.0989","0.0014","90","","90","","90","","2145","0.4","293","","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0358","0.0293","","0.062","0.0564","0.062","","","","","","0.9936","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548489","11.9968","0.0011","12.5527","0.0011","12.8642","0.0006","90","","90","","90","","1937.2","0.3","293","","293","","","","1400","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0566","0.0458","","0.0689","0.068","0.0689","","","","","","1.001","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548490","11.9924","0.0012","12.5546","0.0011","12.8611","0.0007","90","","90","","90","","1936.4","0.3","293","","293","","","","1600","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.055","0.0441","","0.0702","0.0694","0.0702","","","","","","0.9938","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548491","12.3181","0.0007","12.8429","0.0007","13.038","0.0004","90","","90","","90","","2062.61","0.17","293","","293","","","","580","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0327","0.0291","","0.0706","0.066","0.0706","","","","","","1.0411","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548492","12.2089","0.0009","12.7469","0.0008","12.9686","0.0005","90","","90","","90","","2018.2","0.2","293","","293","","","","900","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.037","0.0306","","0.0522","0.0517","0.0522","","","","","","0.9999","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548493","9.0035","0.0013","9.0035","0.0013","14.39","0.002","90","","90","","90","","1166.5","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br Cl0 O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.0601","0.0588","","","0.1522","0.1537","","","","","","1.053","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548494","8.2193","0.0007","14.718","0.0012","10.7344","0.0008","90","","90","","90","","1298.56","0.18","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H4 Br4 O4 Pb3 -","- C4 H4 Br4 O4 Pb3 -","- C16 H16 Br16 O16 Pb12 -","4","0.5","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.088","0.0851","","","0.2209","0.2268","","","","","","1.077","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548495","8.9917","0.0008","8.9917","0.0008","14.354","0.003","90","","90","","90","","1160.5","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.068","0.0679","","","0.2263","0.2265","","","","","","1.242","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548531","16.9858","0.001","18.4496","0.001","18.8816","0.0011","90","","90","","90","","5917.1","0.6","100","2","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H46 Cl4 Eu N8 O Zn -","- C19 H46 Cl4 Eu N8 O Zn -","- C152 H368 Cl32 Eu8 N64 O8 Zn8 -","8","1","","Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.","First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.","Chemical science","2018","9","5","1273","1278","10.1039/c7sc02479g","","","0.71073","MoKα","","0.0646","0.0289","","","0.0526","0.0625","","","","","","1.047","","","","has coordinates,has disorder","228690","2020-10-21","18:00:00",""
"1548532","22.851","0.003","5.7145","0.0006","16.97","0.002","90","","98.174","0.003","90","","2193.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.059","0.0474","","","0.1199","0.1298","","","","","","1.048","","","","has coordinates","228737","2020-10-21","18:00:00",""
"1548533","15.0937","0.0012","17.6924","0.0014","9.6626","0.0008","90","","90","","90","","2580.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H41 O2 W0.5 -","- C27 H41 O2 W0.5 -","- C108 H164 O8 W2 -","4","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0311","0.0234","","","0.0487","0.0511","","","","","","1.06","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548534","13.4644","0.0006","13.7709","0.0006","18.7517","0.0008","106.468","0.002","110.976","0.002","96.554","0.002","3021.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H87 O4 P W -","- C68 H87 O4 P W -","- C136 H174 O8 P2 W2 -","2","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0337","0.0257","","","0.0588","0.0616","","","","","","1.049","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548543","6.746","0.003","7.246","0.003","7.434","0.003","77.801","0.007","83.65","0.008","88.409","0.007","353","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","1","0.5","","Zeng, Qingying; Mukherjee, Arijit; Müller, Peter; Rogers, Robin D.; Myerson, Allan S.","Exploring the role of ionic liquids to tune the polymorphic outcome of organic compounds.","Chemical science","2018","9","6","1510","1520","10.1039/c7sc04353h","","","0.71073","MoKα","","0.079","0.0624","","","0.1933","0.2064","","","","","","1.077","","","","has coordinates,has disorder","228734","2020-10-21","18:00:00",""
"1548565","12.6608","0.0008","17.559","0.0013","18.5345","0.0014","90","","90","","90","","4120.4","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51.88 Br4 Co N3 O Zn -","- C37 H51.884 Br4 Co N3 O Zn -","- C148 H207.536 Br16 Co4 N12 O4 Zn4 -","4","1","","Werth, Jacob; Uyeda, Christopher","Regioselective Simmons-Smith-type cyclopropanations of polyalkenes enabled by transition metal catalysis.","Chemical science","2018","9","6","1604","1609","10.1039/c7sc04861k","","","1.54178","CuKα","","0.057","0.0482","","","0.119","0.1234","","","","","","1.022","","","","has coordinates,has disorder","228736","2020-10-21","18:00:00",""
"1548566","9.0343","0.0001","10.2063","0.0002","11.0348","0.0002","66.3381","0.0018","70.1856","0.0017","78.1262","0.0019","873.89","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-3,4,5-trifluorophenylborinic acid benzylamine complex","","- C19 H14 B F6 N O -","- C19 H14 B F6 N O -","- C38 H28 B2 F12 N2 O2 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0553","0.0426","","","0.1","0.1073","","","","","","1.042","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548567","14.1158","0.0003","8.9604","0.0002","18.8756","0.0004","90","","90.0788","0.0017","90","","2387.44","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(phenyl)borinic acid benzylaminobenzoate","","- C27 H26 B Cl2 N O2 -","- C27 H26 B Cl2 N O2 -","- C108 H104 B4 Cl8 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0883","0.0488","","","0.0972","0.1105","","","","","","1.015","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548568","10.014","0.0003","11.7859","0.0004","23.0748","0.0007","103.818","0.0008","98.0649","0.001","96.9376","0.0009","2584.47","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylamine-4'-phenylbutanoate","","- C29 H24 B F6 N O2 -","- C29 H24 B F6 N O2 -","- C116 H96 B4 F24 N4 O8 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0608","0.0579","","","0.1578","0.1626","","","","","","1.035","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548569","12.8358","0.0009","12.6583","0.0009","12.8851","0.0009","90","","119.06","0.002","90","","1830","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0594","0.0409","","","0.1042","0.116","","","","","","1.078","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548570","10.635","0.0005","11.4814","0.0005","12.2457","0.0006","83.1389","0.0018","87.0947","0.0019","64.1817","0.0017","1336.36","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-iodophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 I2 O5 -","- C28 H22 B2 I2 O5 -","- C56 H44 B4 I4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0448","0.0286","","","0.0538","0.058","","","","","","1.036","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548571","9.2006","0.0002","11.4729","0.0004","13.1121","0.0004","101.57","0.003","99.773","0.002","98.085","0.003","1314.22","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-(2-chlorophenyl)borinic acid benzylamine-4-phenylbutanoat","","- C29 H28 B Cl2 N O2 -","- C29 H28 B Cl2 N O2 -","- C58 H56 B2 Cl4 N2 O4 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.07","0.0484","","","0.1119","0.1263","","","","","","1.029","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548572","10.1019","0.0004","11.7656","0.0005","19.567","0.0009","90","","103.69","0.0015","90","","2259.56","0.17","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylaminobenzoat","","- C26 H18 B F6 N O2 -","- C26 H18 B F6 N O2 -","- C104 H72 B4 F24 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0469","0.0373","","","0.0913","0.0976","","","","","","1.017","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548573","11.75","0.0005","11.0269","0.0004","13.1973","0.0005","90","","97.3307","0.0014","90","","1695.95","0.11","120","","120","","","","","","","","","8","P 1 c 1","P -2yc","7","","Bis-3,4,5-trifluorophenylborinic acid ethylenediamine complex","","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C58 H52 B4 Cl6 D2 F24 N8 O4 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0535","0.0459","","","0.1211","0.1267","","","","","","1.019","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548574","10.372","0.0005","11.1795","0.0005","12.3123","0.0006","106.545","0.0014","111.492","0.0014","96.8493","0.0015","1232.74","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","3,4,5-Trifluorophenylboroxine ‒ benzylamine complex","","- C25 H15 B3 F9 N O3 -","- C25 H15 B3 F9 N O3 -","- C50 H30 B6 F18 N2 O6 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0432","0.0358","","","0.0954","0.1003","","","","","","1.034","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548575","17.083","0.004","13.093","0.003","7.99","0.002","90","","90","","90","","1787.1","0.7","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0781","0.0445","","","0.1031","0.117","","","","","","1.049","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548576","21.212","0.0009","11.2705","0.0005","18.8494","0.0008","90","","114.886","0.0016","90","","4087.9","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenylboroxine complex with 4 equiv. benzylamine","","- C46 H51 B3 N4 O3 -","- C46 H51 B3 N4 O3 -","- C184 H204 B12 N16 O12 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.074","0.0496","","","0.1053","0.1169","","","","","","1.039","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548577","10.4296","0.0005","11.147","0.0006","11.7996","0.0006","84.748","0.002","87.958","0.002","67.5356","0.0019","1262.39","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-chlorophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 Cl2 O5 -","- C28 H22 B2 Cl2 O5 -","- C56 H44 B4 Cl4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0637","0.0427","","","0.1019","0.1111","","","","","","1.027","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548578","11.2396","0.0004","15.2054","0.0006","17.9361","0.0007","89.7333","0.0016","72.0196","0.0015","84.3291","0.0017","2900.27","0.19","120","","120","","","","","","","","","5","P -1","-P 1","2","","phenylboroxine complex with 2 equiv. benzylamine","","- C32 H33 B3 N2 O3 -","- C32 H33 B3 N2 O3 -","- C128 H132 B12 N8 O12 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0624","0.0445","","","0.1005","0.1087","","","","","","1.03","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548579","12.8086","0.0004","12.6262","0.0004","12.8625","0.0005","90","","119.598","0.002","90","","1808.74","0.11","220","","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0715","0.0628","","","0.1811","0.1941","","","","","","1.053","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548590","38.4003","0.0015","9.7146","0.0004","18.3058","0.0008","90","","114.338","0.002","90","","6222","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 B N O -","- C39 H42 B N O -","- C312 H336 B8 N8 O8 -","8","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0991","0.0596","","","0.132","0.1492","","","","","","1.043","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548591","8.488","0.0006","10.8609","0.0007","12.4693","0.0009","97.707","0.002","98.593","0.002","105.796","0.002","1075.07","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0939","0.0624","","","0.1625","0.1768","","","","","","1.112","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548592","12.3452","0.0006","9.0371","0.0005","20.4924","0.001","90","","91.199","0.002","90","","2285.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B N O -","- C27 H32 B N O -","- C108 H128 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0913","0.061","","","0.1538","0.1686","","","","","","1.072","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548593","10.146","0.003","16.684","0.005","16.55","0.005","90","","103.602","0.008","90","","2722.9","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.1395","0.0762","","","0.1781","0.205","","","","","","0.963","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548594","17.551","0.006","15.552","0.005","17.729","0.006","90","","93.183","0.008","90","","4832","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 B N2 Se2 -","- C23 H37 B N2 Se2 -","- C184 H296 B8 N16 Se16 -","8","2","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.2188","0.0694","","","0.1626","0.2245","","","","","","0.97","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548595","18.966","0.004","13.037","0.003","18.816","0.005","90","","97.143","0.01","90","","4616.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 B2 N4 S -","- C49 H70 B2 N4 S -","- C196 H280 B8 N16 S4 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.219","0.0779","","","0.1632","0.2174","","","","","","0.951","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548596","16.059","0.003","17.563","0.003","17.928","0.003","90","","103.042","0.005","90","","4926.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 Se3 -","- C50 H78 B2 N4 O2 Se3 -","- C200 H312 B8 N16 O8 Se12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1018","0.0574","","","0.0891","0.1007","","","","","","1.073","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548597","15.945","0.003","17.53","0.004","17.924","0.003","90","","102.905","0.004","90","","4883.5","1.7","100","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 S3 -","- C50 H78 B2 N4 O2 S3 -","- C200 H312 B8 N16 O8 S12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1619","0.0738","","","0.1255","0.1523","","","","","","0.985","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548598","10.784","0.004","16.852","0.005","19.026","0.006","90","","91.03","0.03","90","","3457","2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O Se2 -","- C37 H49 B N2 O Se2 -","- C148 H196 B4 N8 O4 Se8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1634","0.0648","","","0.1155","0.144","","","","","","0.956","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548599","8.8508","0.0009","8.8654","0.0008","14.6186","0.0015","75.639","0.003","86.11","0.003","80.401","0.003","1095.24","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","1","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0847","0.0605","","","0.1429","0.1595","","","","","","1.057","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548600","17.8352","0.0015","16.7797","0.0016","28.365","0.003","90","","90","","90","","8488.8","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H62 B2 N4 Se -","- C42 H62 B2 N4 Se -","- C336 H496 B16 N32 Se8 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0869","0.0508","","","0.1029","0.1182","","","","","","1.097","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548601","16.39","0.03","17.61","0.03","38.28","0.07","90","","90","","90","","11049","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 B2 N4 O3 S4 -","- C54 H86 B2 N4 O3 S4 -","- C432 H688 B16 N32 O24 S32 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.4879","0.215","","","0.4095","0.537","","","","","","1.036","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548602","10.672","0.002","16.818","0.004","18.902","0.005","90","","91.75","0.03","90","","3391","1.4","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O S2 -","- C37 H49 B N2 O S2 -","- C148 H196 B4 N8 O4 S8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0423","0.0352","","","0.0865","0.0917","","","","","","1.022","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548603","8.8289","0.0011","8.8405","0.0016","14.667","0.003","85.939","0.013","75.916","0.01","79.987","0.01","1093","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B N2 Se -","- C24 H34 B N2 Se -","- C48 H68 B2 N4 Se2 -","2","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0896","0.0536","","","0.0969","0.1099","","","","","","0.998","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548613","6.1624","0.0006","7.7041","0.0007","30.136","0.003","90","","90","","90","","1430.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Luo, Hongwen; Yang, Zheng; Lin, Weilong; Zheng, Yangguangyan; Ma, Shengming","A catalytic highly enantioselective allene approach to oxazolines.","Chemical science","2018","9","7","1964","1969","10.1039/c7sc04079b","","","0.71073","MoKα","","0.026","0.023","","","0.0559","0.0569","","","","","","1.028","","","","has coordinates","228783","2020-10-21","18:00:00",""
"1548614","13.751","0.005","16.557","0.006","28.155","0.01","90","","93.121","0.004","90","","6401","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37.5 B I2 N O -","- C33 H38 B I2 N O -","- C264 H304 B8 I16 N8 O8 -","8","2","","Qi, Yanyu; Xu, Wenjun; Kang, Rui; Ding, Nannan; Wang, Yelei; He, Gang; Fang, Yu","Discrimination of saturated alkanes and relevant volatile compounds <i>via</i> the utilization of a conceptual fluorescent sensor array based on organoboron-containing polymers.","Chemical science","2018","9","7","1892","1901","10.1039/c7sc05243j","","","0.71073","MoKα","","0.0888","0.0732","","","0.1701","0.1792","","","","","","1.316","","","","has coordinates","228791","2020-10-21","18:00:00",""
"1548615","11.4664","0.0002","24.2697","0.0004","28.3765","0.0005","67.455","0.0007","88.576","0.0007","85.754","0.0007","7273.2","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H61 Li Ni O8.25 -","- C35.5 H61 Li Ni O8.25 -","- C284 H488 Li8 Ni8 O66 -","8","4","","Iwasaki, Takanori; Fukuoka, Asuka; Yokoyama, Wataru; Min, Xin; Hisaki, Ichiro; Yang, Tao; Ehara, Masahiro; Kuniyasu, Hitoshi; Kambe, Nobuaki","Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1,3-butadiene: mechanistic studies of four-component coupling and competing cross-coupling reactions.","Chemical science","2018","9","8","2195","2211","10.1039/c7sc04675h","","","1.54187","CuKα","","0.1745","0.1017","","","0.2986","0.3607","","","","","","1.052","","","","has coordinates,has disorder","228677","2020-10-21","18:00:00",""
"1548634","13.4779","0.0014","8.1983","0.0009","31.894","0.003","90","","90","","90","","3524.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 N O S -","- C19 H27 N O S -","- C152 H216 N8 O8 S8 -","8","1","","Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao","Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.","Chemical science","2018","9","7","1846","1853","10.1039/c7sc04580h","","","0.71073","MoKα","","0.0563","0.0466","","","0.1143","0.121","","","","","","1.048","","","","has coordinates","228786","2020-10-21","18:00:00",""
"1548635","9.7798","0.0002","10.6568","0.0002","17.5257","0.0003","90","","90","","90","","1826.55","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong","Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds.","Chemical science","2018","9","7","1873","1877","10.1039/c7sc04784c","","","1.54178","CuKα","","0.0454","0.0426","","","0.1134","0.1179","","","","","","1.043","","","","has coordinates","228788","2020-10-21","18:00:00",""
"1548636","7.786","0.003","8.024","0.003","16.081","0.005","90","","90","","90","","1004.7","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Ag N O4 -","- C8 H14 Ag N O4 -","- C32 H56 Ag4 N4 O16 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0163","0.0162","","","0.0441","0.0442","","","","","","1.028","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548637","16.509","0.001","8.4282","0.0005","13.9655","0.0008","90","","114.69","0.001","90","","1765.53","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N O3 Si -","- C18 H20 Ag N O3 Si -","- C72 H80 Ag4 N4 O12 Si4 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0395","0.0369","","","0.1133","0.1174","","","","","","1.009","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548638","15.186","0.002","13.4178","0.0013","17.1643","0.0016","90","","112.449","0.0014","90","","3232.4","0.6","100","0.5","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","neivf10","","","- C30.71 H44.57 Br1.14 Fe N2 O2.86 -","- C30.712 H44.568 Br1.144 Fe N2 O2.856 -","- C122.848 H178.272 Br4.576 Fe4 N8 O11.424 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0822","0.0512","","","0.1039","0.1148","","","","","","1.005","","","","has coordinates,has disorder","228785","2020-10-21","18:00:00",""
"1548639","10.0953","0.0008","10.9483","0.0008","17.657","0.0013","88.7501","0.0016","75.1691","0.0016","88.9205","0.0016","1885.9","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neism54","","","- C39 H60 Fe N2 O4 -","- C39 H60 Fe N2 O4 -","- C78 H120 Fe2 N4 O8 -","2","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0725","0.0484","","","0.1339","0.1459","","","","","","1.047","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548640","11.2603","0.0006","22.9235","0.0012","16.1864","0.0009","90","","103.878","0.0011","90","","4056.2","0.4","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","neism35","","","- C33 H46 Fe N2 O4 -","- C33 H46 Fe N2 O4 -","- C132 H184 Fe4 N8 O16 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0481","0.0341","","","0.0753","0.0808","","","","","","0.981","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548651","21.2508","0.0003","21.6182","0.0002","39.5929","0.0004","93.208","0.001","101.624","0.001","118.521","0.001","15407.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C250.5 H168.5 B5 Co6 F41 N47 O21.25 S7 -","- C247.5 H168.5 B5 Co6 F32 N47 O12.25 S4 -","- C495 H337 B10 Co12 F64 N94 O24.5 S8 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1226","0.1132","","","0.27","0.2782","","","","","","1.058","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548652","25.0303","0.0004","26.7592","0.0005","34.5514","0.0007","68.113","0.0017","88.8092","0.0017","66.5154","0.0014","19472.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5 -","- C265.001 H263.5 B66 Co6 F12.003 N62.5 O13.003 S4.001 -","- C530.002 H527 B132 Co12 F24.006 N125 O26.006 S8.002 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1399","0.1179","","","0.3293","0.3464","","","","","","1.146","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548653","15.5829","0.0011","39.582","0.003","16.2027","0.0011","90","","110.448","0.002","90","","9364.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H130 Cl2 N4 Ni2 O5 -","- C85 H114 N4 Ni2 O5 -","- C340 H456 N16 Ni8 O20 -","4","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","0.7749","Synchrotron","","0.0626","0.0439","","","0.1126","0.1206","","","","","","1.033","","","","has coordinates","228730","2020-10-21","18:00:00",""
"1548654","11.4567","0.0007","13.1358","0.001","25.5529","0.0016","82.482","0.005","89.48","0.004","67.19","0.005","3510.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 N6 Ni2 O4 -","- C72 H96 N6 Ni2 O4 -","- C144 H192 N12 Ni4 O8 -","2","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0793","0.0599","","","0.1685","0.1848","","","","","","1.044","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548655","29.9305","0.0005","12.1234","0.0002","47.9429","0.0008","90","","90","","90","","17396.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H139 N4 Ni2 O4 -","- C68 H90 N4 Ni2 O4 -","- C544 H720 N32 Ni16 O32 -","8","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0893","0.0555","","","0.125","0.1382","","","","","","1.08","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548656","13.7157","0.0004","21.388","0.0007","65.483","0.002","90","","90","","90","","19209.5","1","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C192 H133 Ca2 O29 P4 -","- C192 H133 Ca2 O29 P4 -","- C768 H532 Ca8 O116 P16 -","4","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0928","0.063","","","0.1295","0.1434","","","","","","0.928","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548657","4.681","0.0005","6.1091","0.0007","14.2048","0.0016","100.603","0.008","92.652","0.008","94.55","0.009","397.25","0.08","100","2","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","1","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0517","0.0485","","","0.1197","0.1266","","","","","","1.111","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548659","13.855","0.004","9.378","0.002","30.742","0.008","90","","101.648","0.003","90","","3912.1","1.7","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C156 H156 B4 Fe4 N16 O4 P4 Zn4 -","2","0.5","","Abubekerov, Mark; Wei, Junnian; Swartz, Kevin R.; Xie, Zhixin; Pei, Qibing; Diaconescu, Paula L.","Preparation of multiblock copolymers <i>via</i> step-wise addition of l-lactide and trimethylene carbonate.","Chemical science","2018","9","8","2168","2178","10.1039/c7sc04507g","","","0.71073","MoKα","","0.0979","0.0793","","","0.2114","0.2198","","","","","","1.038","","","","has coordinates,has disorder","228680","2020-10-21","18:00:00",""
"1548660","17.2181","0.0008","12.9003","0.0007","14.6113","0.0009","90","","110.082","0.002","90","","3048.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B9 Hf2 -","- C27 H35 B9 Hf2 -","- C108 H140 B36 Hf8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","1.54178","CuKα","","0.1043","0.0783","","","0.2117","0.2342","","","","","","1.059","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548661","17.2544","0.0006","12.8796","0.0003","14.6295","0.0005","90","","109.855","0.002","90","","3057.85","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B9 Zr2 -","- C27 H39 B9 Zr2 -","- C108 H156 B36 Zr8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0667","0.0375","","","0.0767","0.088","","","","","","1.021","","","","has coordinates,has disorder","228789","2020-10-21","18:00:00",""
"1548662","9.3061","0.0008","7.8838","0.0007","14.9171","0.0012","90","","100.72","0.002","90","","1075.33","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 B5 Hf2 -","- C20 H24 B5 Hf2 -","- C40 H48 B10 Hf4 -","2","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0497","0.0396","","","0.0911","0.0968","","","","","","1.022","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548696","10.039","0.003","14.627","0.004","11.432","0.003","90","","96.919","0.005","90","","1666.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B10 -","- C12 H20 B10 -","- C48 H80 B40 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0879","0.0629","","","0.1704","0.1971","","","","","","1.02","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548697","11.7439","0.0006","8.5035","0.0005","12.5486","0.0007","90","","108.228","0.001","90","","1190.27","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 S -","- C5 H14 B10 S -","- C20 H56 B40 S4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0526","0.0459","","","0.1353","0.1417","","","","","","1.104","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548698","6.955","0.0009","10.8072","0.0014","16.754","0.002","90","","90","","90","","1259.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 B10 O2 -","- C5 H16 B10 O2 -","- C20 H64 B40 O8 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1086","0.083","","","0.2047","0.2314","","","","","","1.05","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548699","11.9424","0.0013","8.5259","0.0008","13.3359","0.0012","90","","108.729","0.006","90","","1286","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H17 B10 N -","- C6 H17 B10 N -","- C24 H68 B40 N4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1208","0.0768","","","0.2184","0.2534","","","","","","1.065","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548700","8.9977","0.0004","9.8055","0.0005","11.2475","0.0007","87.61","0.002","66.4692","0.0016","73.9029","0.0015","871.46","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 B10 N -","- C14 H19 B10 N -","- C28 H38 B20 N2 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0928","0.0702","","","0.2005","0.2136","","","","","","1.185","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548701","11.9668","0.0012","12.4954","0.0012","14.9348","0.0015","87.27","0.006","75.356","0.006","88.638","0.006","2158","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 B10 Li O10 -","- C36 H67 B10 Li O10 -","- C72 H134 B20 Li2 O20 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1902","0.1105","","","0.2813","0.3299","","","","","","1.055","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548702","9.769","0.003","13.123","0.003","10.039","0.003","90","","114.345","0.003","90","","1172.5","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C58 H50 N2 O6 S2 -","2","1","","Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao","Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines.","Chemical science","2018","9","7","1831","1835","10.1039/c7sc04515h","","","0.71073","MoKα","","0.0433","0.0413","","","0.0895","0.0909","","","","","","1.096","","","","has coordinates","228792","2020-10-21","18:00:00",""
"1548722","8.6681","0.0006","10.3977","0.0007","11.4123","0.0008","90","","90","","90","","1028.57","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P -","- C12 H15 O P -","- C48 H60 O4 P4 -","4","1","","Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun","Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination.","Chemical science","2018","9","7","1867","1872","10.1039/c7sc04381c","","","1.54178","CuKα","","0.0254","0.0252","","","0.0609","0.0612","","","","","","1.134","","","","has coordinates","228784","2020-10-21","18:00:00",""
"1548738","14.6048","0.0015","7.4486","0.0004","9.5237","0.0005","90","","90","","90","","1036.04","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0573","0.0424","","","0.0977","0.1197","","","","","","1.187","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548739","14.7295","0.0011","7.3639","0.0003","9.5828","0.0004","90","","90","","90","","1039.41","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0676","0.0497","","","0.1216","0.1486","","","","","","1.113","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548740","14.7688","0.001","7.3395","0.0003","9.5973","0.0004","90","","90","","90","","1040.31","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0744","0.0551","","","0.1495","0.1859","","","","","","1.159","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548741","14.5868","0.0013","7.4684","0.0003","9.513","0.0005","90","","90","","90","","1036.35","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0819","0.0587","","","0.1418","0.1736","","","","","","1.139","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548742","14.471","0.0009","7.5428","0.0003","9.4556","0.0005","90","","90","","90","","1032.1","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0631","0.0486","","","0.1182","0.1451","","","","","","1.202","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548743","14.7589","0.0012","7.348","0.0003","9.5909","0.0004","90","","90","","90","","1040.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0764","0.0568","","","0.1436","0.1891","","","","","","1.132","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548744","14.5467","0.0012","7.4933","0.0004","9.4931","0.0005","90","","90","","90","","1034.77","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0761","0.0562","","","0.1391","0.1707","","","","","","1.134","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548745","14.6615","0.0014","7.4138","0.0004","9.5536","0.0005","90","","90","","90","","1038.45","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.064","0.0463","","","0.1094","0.1321","","","","","","1.121","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548746","14.7005","0.0012","7.3877","0.0003","9.5676","0.0005","90","","90","","90","","1039.07","0.11","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0723","0.0514","","","0.1235","0.1517","","","","","","1.073","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548747","14.6166","0.0011","7.4465","0.0003","9.5286","0.0005","90","","90","","90","","1037.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0756","0.0564","","","0.1381","0.1676","","","","","","1.133","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548748","14.4836","0.0012","7.5409","0.0004","9.4574","0.0005","90","","90","","90","","1032.93","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0725","0.055","","","0.1457","0.1751","","","","","","1.144","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548749","14.8308","0.0013","7.2957","0.0004","9.6188","0.0005","90","","90","","90","","1040.76","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0681","0.0485","","","0.1191","0.1495","","","","","","1.165","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548752","24.8934","0.0003","13.45834","0.00018","18.5282","0.0003","90","","90","","90","","6207.39","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H33 F4 Mg N3 -","- C34 H33 F4 Mg N3 -","- C272 H264 F32 Mg8 N24 -","8","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0513","0.0414","","","0.0987","0.1073","","","","","","1.027","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548753","11.7887","0.0007","12.0703","0.0006","21.6822","0.0007","80.152","0.003","74.593","0.004","66.945","0.005","2729","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H81 Mg N4 Zn -","- C58.5 H81 Mg N4 Zn -","- C117 H162 Mg2 N8 Zn2 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0636","0.046","","","0.0986","0.1071","","","","","","1.028","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548754","14.5708","0.0008","14.6964","0.0008","18.2421","0.0007","91.379","0.004","93.348","0.004","91.651","0.004","3896.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H115 F3 Mg3 N6 -","- C81 H115 F3 Mg3 N6 -","- C162 H230 F6 Mg6 N12 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0831","0.049","","","0.1137","0.1262","","","","","","0.876","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548755","11.8799","0.0007","16.0457","0.0008","17.2413","0.0008","83.738","0.004","85.661","0.004","88.935","0.004","3257.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H36.5 F4 Mg N3 -","- C35.5 H36.5 F4 Mg N3 -","- C142 H146 F16 Mg4 N12 -","4","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0996","0.064","","","0.1646","0.2005","","","","","","1.007","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548756","10.18598","0.00012","24.1833","0.0003","23.1663","0.0003","90","","99.0832","0.0012","90","","5635.01","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H84 Mg N6 Zn -","- C59 H84 Mg N6 Zn -","- C236 H336 Mg4 N24 Zn4 -","4","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0391","0.0329","","","0.0861","0.0907","","","","","","1.048","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548757","13.4443","0.0003","8.2978","0.0002","19.6313","0.0005","90","","102.544","0.002","90","","2137.75","0.09","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg N4 Zn -","- C46 H58 Mg N4 Zn -","- C92 H116 Mg2 N8 Zn2 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0541","0.0402","","","0.1018","0.1132","","","","","","1.017","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548758","15.6052","0.0004","24.2499","0.0005","23.5838","0.0005","90","","102.23","0.002","90","","8722.1","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46.5 H56 F4 N3 Zn -","- C46.5 H56 F4 N3 Zn -","- C372 H448 F32 N24 Zn8 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0667","0.0442","","","0.1208","0.1384","","","","","","1.046","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548759","12.3877","0.0006","22.4084","0.001","19.0461","0.0007","90","","90.149","0.004","90","","5287","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Mg N4 O Zn -","- C56 H78 Mg N4 O Zn -","- C224 H312 Mg4 N16 O4 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0693","0.0462","","","0.1058","0.1178","","","","","","1.031","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548760","21.9257","0.0003","15.7003","0.0002","37.0659","0.0006","90","","97.8995","0.0014","90","","12638.5","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H99 Al Mg N4 -","- C59 H85 Al Mg N4 -","- C472 H680 Al8 Mg8 N32 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0444","0.0377","","","0.1016","0.1075","","","","","","1.042","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548761","12.7429","0.0002","17.3446","0.0004","13.026","0.0003","90","","101.313","0.002","90","","2823.07","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 N4 Zn3 -","- C58 H82 N4 Zn3 -","- C116 H164 N8 Zn6 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0571","0.0382","","","0.0858","0.0984","","","","","","1.023","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548762","13.75991","0.00019","13.8927","0.0002","26.733","0.0004","90","","90","","90","","5110.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H75 Al N4 Zn -","- C54 H75 Al N4 Zn -","- C216 H300 Al4 N16 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.043","0.0352","","","0.0812","0.0867","","","","","","1.014","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548769","6.9832","0.0006","8.5007","0.0007","26.483","0.002","90","","90","","90","","1572.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M.","Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols.","Chemical science","2018","9","9","2547","2551","10.1039/c7sc05216b","","","1.54178","CuKα","","0.0278","0.026","","","0.0656","0.0664","","","","","","1.06","","","","has coordinates","228795","2020-10-21","18:00:00",""
"1548770","8.7015","0.0013","14.84","0.003","14.86","0.003","90","","105.517","0.0015","90","","1848.9","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(3,5-dichloro-4-pyridyl)(2,4,6-trichlorophenyl)methyl radical","","- C17 H6 Cl7 N2 -","- C17 H6 Cl7 N2 -","- C68 H24 Cl28 N8 -","4","1","","Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi","A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes.","Chemical science","2018","9","7","1996","2007","10.1039/c7sc04034b","","","0.7107","MoKα","","","0.0344","","","","0.0888","","","","","","1.062","","","","has coordinates","228790","2020-10-21","18:00:00",""
"1548829","24.328","0.002","24.845","0.003","32.217","0.003","67.732","0.003","76.94","0.002","84.496","0.003","17553","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C260 H338 Au42 S26 -","- C260 H338 Au42 S26 -","- C520 H676 Au84 S52 -","2","1","","Zhuang, Shengli; Liao, Lingwen; Zhao, Yan; Yuan, Jinyun; Yao, Chuanhao; Liu, Xu; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Is the kernel-staples match a key-lock match?","Chemical science","2018","9","9","2437","2442","10.1039/c7sc05019d","","","0.71073","MoKα","","0.1144","0.0619","","","0.1493","0.1764","","","","","","0.976","","","","has coordinates","228796","2020-10-21","18:00:00",""
"1548838","7.4225","0.0005","16.5812","0.001","21.1102","0.0014","82.789","0.003","85.375","0.003","84.403","0.003","2559.1","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C18 H26 N4 O6 S -","- C18 H26 N4 O6 S -","- C72 H104 N16 O24 S4 -","4","4","","Lee, Jisun; Joullié, Madeleine M","Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy.","Chemical science","2018","9","9","2432","2436","10.1039/c8sc00234g","","","0.71073","MoKα","","0.0702","0.0659","","","0.167","0.1696","","","","","","1.073","","","","has coordinates","228799","2020-10-21","18:00:00",""
"1548839","9.6006","0.0009","15.4568","0.0016","11.7534","0.0011","90","","93.542","0.009","90","","1740.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Ni0.5 O4 -","- C21 H23 Ni0.5 O4 -","- C84 H92 Ni2 O16 -","4","1","","Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K.","Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation.","Chemical science","2018","9","10","2817","2825","10.1039/c7sc04687a","","x-ray","0.71073","MoKα","","0.07","0.0578","","","0.1575","0.1734","","","","","","1.071","","","","has coordinates","228640","2020-10-21","18:00:00",""
"1548853","7.4148","0.0001","10.3516","0.0003","14.6348","0.0003","82.054","0.008","79.877","0.007","73.007","0.007","1053.02","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C46 H52 N4 O4 S4 -","2","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0324","0.0287","","","0.0796","0.0816","","","","","","1.101","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548854","10.7685","0.0017","14.2394","0.0019","16.386","0.003","90","","108.759","0.0019","90","","2379.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N2 O2 S2 -","- C25 H30 N2 O2 S2 -","- C100 H120 N8 O8 S8 -","4","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0388","0.0342","","","0.0832","0.0865","","","","","","1.023","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548856","8.6947","0.0017","17.563","0.004","10.737","0.002","90","","97.361","0.004","90","","1626.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 -","- C44 H36 N2 -","- C88 H72 N4 -","2","0.5","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1702","0.1127","","","0.316","0.3594","","","","","","1.115","","","","has coordinates,has disorder","228639","2020-10-21","18:00:00",""
"1548857","14.1565","0.0018","17.917","0.002","14.4208","0.0018","90","","99.826","0.002","90","","3604.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.0899","0.0569","","","0.1487","0.1833","","","","","","1.035","","","","has coordinates,has disorder","228639","2020-10-21","18:00:00",""
"1548858","11.856","0.007","12.147","0.007","13.446","0.008","102.687","0.008","111.422","0.008","93.005","0.009","1739.8","1.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1331","0.0712","","","0.197","0.2394","","","","","","1.03","","","","has coordinates","228639","2020-10-21","18:00:00",""
"1548860","13.9558","0.0003","15.4622","0.0003","30.6296","0.0006","90","","90","","90","","6609.5","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36.34 N O2.17 P -","- C42 H36.34 N O2.17 P -","- C336 H290.72 N8 O17.36 P8 -","8","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0359","0.0323","","0.0822","0.0789","0.0822","","","","","","0.9994","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548861","11.4023","0.0002","8.446","0.0001","12.168","0.0002","90","","117.387","0.002","90","","1040.49","0.03","150","","150","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl F6 N -","- C22 H20 Cl F6 N -","- C44 H40 Cl2 F12 N2 -","2","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0365","0.0357","","0.095","0.0937","0.095","","","","","","1.0028","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548862","8.332","0.0001","11.3877","0.0002","22.1875","0.0004","90","","90","","90","","2105.2","0.06","150","","150","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C96 H120 Cl4 N4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0347","0.0317","","0.0852","0.0796","0.0829","","","","","","1.0093","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548863","13.9275","0.0001","18.6673","0.0001","15.2746","0.0001","90","","110.757","0.0008","90","","3713.47","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46.5 H39 Cl N O2 P -","- C46.5 H39 Cl N O2 P -","- C186 H156 Cl4 N4 O8 P4 -","4","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.5418","CuKα","","0.0475","0.0453","","0.1194","0.1169","0.1194","","","","","","1.0071","","","","has coordinates","228797","2020-10-21","18:00:00",""
"1548864","24.2085","0.0003","16.0031","0.0002","8.8283","0.0001","90","","90","","90","","3420.18","0.07","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.45 H36.9 Cl0.9 N O2 P -","- C42.4489 H36.8978 Cl0.8978 N O2 P -","- C169.796 H147.591 Cl3.5912 N4 O8 P4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0375","0.0358","","0.0949","0.0929","0.0949","","","","","","1.0024","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548865","27.8322","0.0003","21.4898","0.0002","26.4066","0.0003","90","","116.468","0.002","90","","14138.5","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 B Cl N6 Ni O2 Si2 -","- C50 H82 B Cl N6 Ni O2 Si2 -","- C400 H656 B8 Cl8 N48 Ni8 O16 Si16 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0528","0.0415","","","0.1177","0.1268","","","","","","1.023","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548866","10.8782","0.0001","25.2119","0.0002","17.866","0.0001","90","","91.948","0.001","90","","4897.1","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 B Cl N5 Ni O3 Si2 -","- C44 H71 B Cl N5 Ni O3 Si2 -","- C176 H284 B4 Cl4 N20 Ni4 O12 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0368","0.0328","","","0.0858","0.0889","","","","","","1.03","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548867","9.8905","0.0012","12.6054","0.0014","16.945","0.002","69.66","0.011","89.159","0.01","78.594","0.01","1938.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H63 B Cl N5 O2 -","- C38 H63 B Cl N5 O2 -","- C76 H126 B2 Cl2 N10 O4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1551","0.0939","","","0.2404","0.2981","","","","","","1.017","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548868","11.0148","0.0004","14.6131","0.0005","22.793","0.0008","84.552","0.003","83.601","0.003","70.398","0.004","3428.1","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H105 B Cl N6 Ni O6 Si2 -","- C66 H104 B Cl N6 Ni O6 Si2 -","- C132 H208 B2 Cl2 N12 Ni2 O12 Si4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0701","0.0565","","","0.1518","0.166","","","","","","1.042","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548869","13.7173","0.0002","15.3059","0.0002","15.7157","0.0002","90","","110.275","0.002","90","","3095.16","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B Cl N5 -","- C27 H49 B Cl N5 -","- C108 H196 B4 Cl4 N20 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0468","0.0409","","","0.1096","0.1198","","","","","","1.065","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548870","15.6878","0.0002","12.3457","0.0001","36.8495","0.0005","90","","90","","90","","7136.9","0.14","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H59 B Cl N5 O -","- C33 H59 B Cl N5 O -","- C264 H472 B8 Cl8 N40 O8 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0765","0.065","","","0.1842","0.1974","","","","","","1.029","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548871","14.0633","0.0007","26.4632","0.0011","18.1718","0.001","90","","100.801","0.005","90","","6643","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 B Cl N6 Ni O2 Si2 -","- C51 H78 B Cl N6 Ni O2 Si2 -","- C204 H312 B4 Cl4 N24 Ni4 O8 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1852","0.0929","","","0.1819","0.224","","","","","","0.819","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548872","10.17707","0.00014","8.43885","0.00015","18.8541","0.0003","90","","101.724","0.0015","90","","1585.46","0.04","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H12 F6 N O P -","- C15 H12 F6 N O P -","- C60 H48 F24 N4 O4 P4 -","4","2","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","x-ray","1.54184","CuKα","","0.0512","0.0482","","","0.1257","0.1288","","","","","","1.027","","","","has coordinates,has disorder","228852","2020-10-21","18:00:00",""
"1548873","9.524","0.0005","17.1108","0.0009","36.4272","0.0016","90","","90","","90","","5936.3","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H60 Cl6 O4 Rh2 -","- C65 H60 Cl6 O4 Rh2 -","- C260 H240 Cl24 O16 Rh8 -","4","1","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","","1.54184","CuKα","","0.0687","0.0551","","","0.1219","0.1295","","","","","","1.103","","","","has coordinates","228852","2020-10-21","18:00:00",""
"1548874","10.4786","0.0005","16.101","0.0008","16.7081","0.0008","90","","92.821","0.002","90","","2815.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C64 H144 B40 Cl4 Cu4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0414","0.0284","","","0.0472","0.0501","","","","","","1.041","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548875","10.6009","0.0005","13.8331","0.0007","11.0738","0.0005","90","","103.867","0.002","90","","1576.57","0.13","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C36 H78 Ag2 B20 N4 O14 P4 Ru2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.025","0.0215","","","0.0379","0.0387","","","","","","1.031","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548876","12.421","0.0005","12.596","0.0006","19.0782","0.0008","90","","101.457","0.002","90","","2925.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C64 H144 Au4 B40 Cl4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0301","0.0225","","","0.034","0.0352","","","","","","1.079","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548877","7.945","0.0003","8.8188","0.0003","17.5482","0.0007","77.665","0.002","82.466","0.002","81.092","0.002","1180.51","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0429","0.0345","","","0.0794","0.0821","","","","","","1.039","","","","has coordinates","228850","2020-10-21","18:00:00",""
"1548878","8.002","0.0006","9.1057","0.0007","17.7358","0.0014","76.787","0.004","82.257","0.004","80.099","0.004","1233.2","0.17","277","2","277","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0798","0.0459","","","0.0897","0.0976","","","","","","1.033","","","","has coordinates","228850","2020-10-21","18:00:00",""
"1548879","8.3869","0.0007","7.9947","0.0006","19.4819","0.0016","90","","90.1405","0.0011","90","","1306.27","0.18","88","2","88","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 B2 Co F8 N6 O2 -","- C20 H36 B2 Co F8 N6 O2 -","- C40 H72 B4 Co2 F16 N12 O4 -","2","0.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.032","0.027","","","0.0666","0.0693","","","","","","1.031","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548880","28.1807","0.0018","13.2001","0.0008","20.3454","0.0013","90","","129.871","0.0006","90","","5808.5","0.6","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B2 Co F8 N7 O -","- C22 H37 B2 Co F8 N7 O -","- C176 H296 B16 Co8 F64 N56 O8 -","8","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.0389","0.0288","","","0.0672","0.0716","","","","","","1.03","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548881","9.8793","0.0006","14.9748","0.0008","17.3244","0.001","90","","90","","90","","2563","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B2 Co F8 N6 -","- C20 H28 B2 Co F8 N6 -","- C80 H112 B8 Co4 F32 N24 -","4","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.027","0.0235","","","0.0552","0.0569","","","","","","1.023","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548882","30.4582","0.0016","20.3058","0.0011","17.0511","0.0009","90","","120.178","0.0007","90","","9116.5","0.8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 B2 Co F8 N8 -","- C24 H38 B2 Co F8.00007 N8 -","- C288 H456 B24 Co12 F96.0008 N96 -","12","1.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.1335","0.1226","","","0.3233","0.3322","","","","","","1.067","","","","has coordinates,has disorder","228637","2020-10-21","18:00:00",""
"1548883","10.8491","0.0007","11.7518","0.0008","14.5176","0.001","75.9118","0.0008","86.5298","0.0008","71.8096","0.0008","1705.3","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","1","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0243","0.0221","","","0.0542","0.0554","","","","","","1.034","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548884","32.941","0.002","8.2524","0.0006","21.7664","0.0015","90","","108.302","0.0008","90","","5617.7","0.7","88","2","88","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C184 H192 F24 Fe8 K8 N16 O76 S8 -","4","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.099","0.0931","","","0.2677","0.274","","","","","","1.055","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548885","9.7023","0.0006","12.7853","0.0007","15.6368","0.0009","106.971","0.001","104.413","0.001","98.178","0.001","1747.82","0.18","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C52 H54 Ba2 Cl2 F12 Fe2 N6 O24 S4 -","2","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0232","0.0209","","","0.0571","0.0582","","","","","","1.077","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548886","11.253","0.0013","17.652","0.002","13.5982","0.0015","90","","90.075","0.002","90","","2701.1","0.5","128","2","128","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl F3 Fe K N2 O9 S -","- C23 H24 Cl F3 Fe K N2 O9 S -","- C92 H96 Cl4 F12 Fe4 K4 N8 O36 S4 -","4","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0464","0.0349","","","0.0849","0.0912","","","","","","1.032","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548887","9.5075","0.0004","27.3543","0.0012","28.8412","0.0012","90","","90","","90","","7500.8","0.6","88","2","88","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C208 H216 Ba8 F48 Fe8 N24 O100 S16 -","8","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0849","0.068","","","0.1813","0.195","","","","","","1.025","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548897","8.8511","0.0007","24.5258","0.0019","11.1501","0.0009","90","","97.066","0.001","90","","2402.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl Co F6 N4 O6 S2 -","- C16 H23 Cl Co F6 N4 O6 S2 -","- C64 H92 Cl4 Co4 F24 N16 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0538","0.0426","","","0.1065","0.1133","","","","","","1.031","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548898","12.8115","0.0016","24.0973","0.0019","8.7902","0.001","90","","96.927","0.005","90","","2693.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 Co F6 N4 O8 S2 -","- C19 H28 Co F6 N4 O8 S2 -","- C76 H112 Co4 F24 N16 O32 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.028","0.0259","","","0.0595","0.0605","","","","","","1.034","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548899","14.2091","0.0005","13.4658","0.0004","15.184","0.0005","90","","93.295","0.0008","90","","2900.46","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Co F6 N7 O6 S2 -","- C21 H29 Co F6 N7 O6 S2 -","- C84 H116 Co4 F24 N28 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0309","0.0269","","","0.069","0.0715","","","","","","1.03","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548900","9.312","0.002","16.956","0.004","29.498","0.007","90","","90","","90","","4657.6","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 N4 O6 S2 -","- C16 H24 Co F6 N4 O6 S2 -","- C128 H192 Co8 F48 N32 O48 S16 -","8","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.7107","MoKα","","0.0251","0.0227","","","0.0556","0.0568","","","","","","1.091","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548901","8.802","0.002","24.936","0.006","12.694","0.003","90","","94.038","0.005","90","","2779.2","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Co F6 N5 O6 S2 -","- C18 H29 Co F6 N5 O6 S2 -","- C72 H116 Co4 F24 N20 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.1031","0.0767","","","0.2182","0.2483","","","","","","1.036","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548902","11.9921","0.0009","15.4423","0.0014","15.8756","0.0013","90","","108.403","0.002","90","","2789.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co F6 N4 O7 S2 -","- C19 H30 Co F6 N4 O7 S2 -","- C76 H120 Co4 F24 N16 O28 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0458","0.0353","","","0.0873","0.0933","","","","","","1.035","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548904","14.245","0.002","17.905","0.002","11.3809","0.0009","90","","90","","90","","2902.8","0.6","173","0.1","173","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H32 B2 N Na O5 -","- C27 H24 B2 N Na O5 -","- C108 H96 B8 N4 Na4 O20 -","4","0.5","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.1286","0.0895","","","0.2458","0.2854","","","","","","1.051","","","","has coordinates,has disorder","228636","2020-10-21","18:00:00",""
"1548905","12.3892","0.001","40.276","0.005","12.9956","0.0007","90","","90.798","0.007","90","","6484","1","175","1","175","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 B K N2 O4 -","- C32 H37.75 B K N2 O4 -","- C256 H302 B8 K8 N16 O32 -","8","4","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.0999","0.0683","","","0.1631","0.1833","","","","","","1","","","","has coordinates","228636","2020-10-21","18:00:00",""
"1548906","14.314","0.003","12.233","0.003","27.034","0.006","90","","102.751","0.013","90","","4617","1.8","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57 N O2 P2 S2 Ti -","- C52 H57 N O2 P2 S2 Ti -","- C208 H228 N4 O8 P8 S8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0785","0.0426","","","0.0867","0.0983","","","","","","1.012","","","","has coordinates","228779","2020-10-21","18:00:00",""
"1548907","11.835","0.002","19.146","0.003","22.47","0.004","90","","102.101","0.008","90","","4978.4","1.5","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 N7 P2 Ti -","- C56 H65 N7 P2 Ti -","- C224 H260 N28 P8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0635","0.0409","","","0.0911","0.1012","","","","","","1.033","","","","has coordinates,has disorder","228779","2020-10-21","18:00:00",""
"1548910","11.0085","0.0006","13.2457","0.0007","15.8552","0.0009","90","","92.636","0.002","90","","2309.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl3 N4 O4 Ru -","- C20 H28 Cl3 N4 O4 Ru -","- C80 H112 Cl12 N16 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0398","0.0285","","","0.0618","0.0657","","","","","","1.033","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548911","8.6233","0.001","12.5838","0.0016","23.552","0.004","90","","90","","90","","2555.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl3 N5 O4 Ru -","- C22 H29 Cl3 N5 O4 Ru -","- C88 H116 Cl12 N20 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0188","0.0188","","","0.0483","0.0485","","","","","","1.068","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548912","10.505","0.002","10.579","0.002","11.649","0.002","90","","101.09","0.03","90","","1270.4","0.4","253","2","253","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C22 H32 Cl3 N4 O4 Ru -","- C22 H32 Cl3 N4 O4 Ru -","- C44 H64 Cl6 N8 O8 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0302","0.0291","","","0.0802","0.0808","","","","","","1.037","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548913","8.1503","0.0006","16.4241","0.0013","12.805","0.0011","90","","99.016","0.003","90","","1692.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N6 O8 Ru -","- C32 H38 Cl2 N6 O8 Ru -","- C64 H76 Cl4 N12 O16 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0688","0.0689","","","","","","1.055","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548914","9.912","0.0007","17.5103","0.0014","21.2883","0.0017","81.245","0.005","80.941","0.006","83.022","0.006","3588.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31.65 H36.48 Cl2 N6.83 O8 Ru -","- C31.664 H36.496 Cl2 N6.832 O8 Ru -","- C126.656 H145.984 Cl8 N27.328 O32 Ru4 -","4","2","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","x-ray","1.54178","CuKα","","0.0968","0.0682","","","0.1781","0.1966","","","","","","1.024","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548915","14.38","","15.3958","","21.7726","","74.25","","71.751","","82.351","","4399.85","","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H58 Mn3.5 N4 O24 S10 -","- C83 H58 Mn3.5 N3 O24 S10 -","- C166 H116 Mn7 N6 O48 S20 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.71075","MoKα","","0.109","0.0801","","","0.2057","0.2324","","","","","","1.062","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548916","14.639","","16.743","","20.551","","100.913","","106.78","","100.119","","4591.03","","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H17.5 Mn3.5 N10 O24 -","- C100 H35 Mn3.5 N10 O24 -","- C200 H70 Mn7 N20 O48 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.75","synchrotronradiation","","0.1107","0.0883","","","0.2574","0.2772","","","","","","1.064","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548917","10.383","0.0004","11.3585","0.0005","17.4827","0.0008","89.777","0.002","89.404","0.002","63.76","0.002","1849.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th(BIMA)4","","- C32 H68 N8 Th -","- C32 H68 N8 Th -","- C64 H136 N16 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.011","0.0107","","","0.0273","0.0274","","","","","","1.09","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548918","16.9023","0.0009","11.4723","0.0006","21.7432","0.0012","90","","95.127","0.003","90","","4199.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Th(ptolylN3CH2SiMe3)(BIMA)3","","- C35 H69 N9 Si Th -","- C35 H69 N9 Si Th -","- C140 H276 N36 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0384","0.0317","","","0.07","0.0731","","","","","","1.089","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548919","9.4981","0.0019","11.95","0.002","16.888","0.003","90.32","0.03","99.06","0.03","102.29","0.03","1848","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th[(iPr)N(O2C2)(CH2SiMe3)C(Me)N(iPr)](BIMA)2]","","- C30 H62 N6 O2 Si Th -","- C30 H62 N6 O2 Si Th -","- C60 H124 N12 O4 Si2 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0211","0.0198","","","0.0453","0.0458","","","","","","1.099","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548920","12.986","0.004","16.992","0.005","17.337","0.004","103.843","0.01","97.592","0.01","93.871","0.012","3662.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th(OC(CH2)SiMe3)(BIMA)3","","- C29 H62 N6 O Si Th -","- C29 H62 N6 O Si Th -","- C116 H248 N24 O4 Si4 Th4 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0347","0.0273","","","0.0556","0.0585","","","","","","1.109","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548921","11.5082","0.0005","12.3194","0.0005","12.8462","0.0005","61.8432","0.0007","79.157","0.0008","86.2752","0.0008","1576.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th[(iPr)NC(CH2)N(iPr)](BIMA)2","","- C13.75 H25 N3 Th0.5 -","- C13.75 H25 N3 Th0.5 -","- C55 H100 N12 Th2 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0215","0.0207","","","0.0488","0.0493","","","","","","1.117","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548922","10.9839","0.0005","20.99","0.0008","18.246","0.0008","90","","93.46","0.0018","90","","4199","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(CNXylCH2SiMe3)(BIMA)3","","- C37 H71 N7 Si Th -","- C37 H71 N7 Si Th -","- C148 H284 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0258","0.022","","","0.047","0.0491","","","","","","1.072","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548923","12.6373","0.0009","17.8743","0.0014","17.1544","0.0013","90","","90.033","0.003","90","","3874.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(ptolylNSiMe3)(BIMA)3","","- C34 H67 N7 Si Th -","- C34 H67 N7 Si Th -","- C136 H268 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.021","0.0153","","","0.0309","0.0335","","","","","","1.062","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548924","18.6971","0.0007","15.8036","0.0005","18.9111","0.0006","90","","103.688","0.002","90","","5429.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Th(THF)(BIMA)3][(BPh4)(THF)]","","- C56 H87 B N6 O2 Th -","- C56 H87 B N6 O2 Th -","- C224 H348 B4 N24 O8 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0267","0.0204","","","0.0407","0.0432","","","","","","1.068","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548925","12.1573","0.0013","18.4711","0.0018","16.3766","0.0018","90","","90.215","0.005","90","","3677.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(BIMA)3Th(μ-H)2[B(C8H14)]","","- C32 H67 B N6 Th -","- C32 H67 B N6 Th -","- C128 H268 B4 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0257","0.0207","","","0.0452","0.0467","","","","","","1.103","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548926","19.0249","0.0009","10.3942","0.0005","19.133","0.0009","90","","110.105","0.0018","90","","3553","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Th(CCtolyl)(BIMA)3","","- C33 H58 N6 Th -","- C33 H58 N6 Th -","- C132 H232 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.017","0.0148","","","0.032","0.0329","","","","","","1.102","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548927","22.5782","0.001","13.2908","0.0006","25.4828","0.0011","90","","100.332","0.002","90","","7522.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(PHMes)(BIMA)3","","- C33 H63 N6 P Th -","- C33 H63 N6 P Th -","- C264 H504 N48 P8 Th8 -","8","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.036","0.0252","","","0.051","0.0549","","","","","","1.042","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548939","10.4794","0.0008","7.0464","0.0006","13.4791","0.001","90","","100.094","0.005","90","","979.92","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C44 H46 N2 O4 Si2 -","2","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0774","0.0596","","","0.1657","0.2024","","","","","","1.269","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548940","9.4164","0.0003","11.6775","0.0004","17.207","0.0006","90","","90","","90","","1892.08","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0266","0.0266","","","0.0703","0.0703","","","","","","1.103","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548941","12.9788","0.0003","15.9249","0.0002","18.4205","0.0004","77.6077","0.0015","73.186","0.0018","88.345","0.0014","3557.34","0.13","90","2","90","2","","","","","","","","11","P -1","-P 1","2","XBphos-Rh","LCAR666","","- C69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 Rh -","- C69.1736 H38.3472 B Cl2.3472 F28 I N O P2 Rh -","- C138.347 H76.6944 B2 Cl4.6944 F56 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.0998","0.0862","","","0.2044","0.2106","","","","","","1.179","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548942","12.9235","0.0009","15.961","0.0013","18.3296","0.0019","79.049","0.008","71.52","0.008","88.475","0.006","3518.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","LCAR780","","- C70.5 H46 B F24 I N O P2 Rh -","- C70.5 H46 B F24 I N O P2 Rh -","- C141 H92 B2 F48 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.1538","0.1068","","","0.3123","0.3366","","","","","","1.035","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548943","17.417","0.001","7.3299","0.0004","13.5997","0.0007","90","","95.37","0.002","90","","1728.58","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0866","0.0752","","","0.1895","0.1966","","","","","","1.061","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548944","13.9904","0.0006","8.4064","0.0003","21.36","0.0009","90","","104.491","0.001","90","","2432.21","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.061","0.0398","","","0.096","0.1141","","","","","","1.064","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548945","12.3308","0.0012","16.1714","0.0013","8.8646","0.0008","90","","94.241","0.004","90","","1762.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1059","0.0579","","","0.13","0.163","","","","","","1.035","","","","has coordinates,has disorder","228857","2020-10-21","18:00:00",""
"1548946","9.0836","0.0003","21.4854","0.0009","9.9912","0.0004","90","","92.112","0.001","90","","1948.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C84 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0708","0.0494","","","0.1195","0.1372","","","","","","1.059","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548947","9.8261","0.0004","13.6201","0.0005","16.2063","0.0005","90","","96.868","0.001","90","","2153.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0461","0.0377","","","0.0905","0.0989","","","","","","1.02","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548948","10.99","0.0011","9.6096","0.0009","29.66","0.003","90","","94.047","0.007","90","","3124.6","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C128 H144 N16 O24 S8 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1146","0.0592","","","0.1393","0.1623","","","","","","1.011","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548949","6.0422","0.0012","11.778","0.003","15.448","0.003","90","","90","","90","","1099.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F4 O -","- C12 H12 F4 O -","- C48 H48 F16 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0303","0.0295","","","0.0833","0.0841","","","","","","1.056","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548950","5.25889","0.00006","9.75241","0.00011","20.4698","0.0002","90","","90","","90","","1049.83","0.02","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C48 H56 F8 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0264","0.026","","","0.0705","0.0709","","","","","","1.086","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548951","13.5173","0.0003","5.57303","0.00015","27.4909","0.0009","90","","90.469","0.002","90","","2070.88","0.1","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.1345","0.1282","","","0.4485","0.4562","","","","","","2.205","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548952","10.536","0.003","19.983","0.006","10.272","0.003","90","","107.972","0.007","90","","2057.2","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0389","0.0359","","","0.1055","0.1078","","","","","","1.032","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548953","5.33024","0.00013","9.6528","0.0003","20.0332","0.0007","90","","90","","90","","1030.74","0.05","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F O -","- C12 H14.8 F O -","- C48 H59.2 F4 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0509","0.0496","","","0.1485","0.1496","","","","","","1.004","","","","has coordinates,has disorder","228853","2020-10-21","18:00:00",""
"1548954","21.247","0.0009","21.247","","11.2694","0.0005","90","","90","","120","","4405.8","0.3","291","2","291","2","","","","","","","","4","P 61","P 61","169","","3,3-dimethyl-2-(4-(methylsulfonyl)phenyl)non-4-yn-2-yl [1,1'-biphenyl]-4-carboxylate","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C186 H204 O24 S6 -","6","1","","Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J","Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.","Chemical science","2018","9","13","3305","3312","10.1039/c7sc05123a","","","0.71073","MoKα","","0.0968","0.0638","","","0.1733","0.1943","","","","","","1.092","","","","has coordinates","228777","2020-10-21","18:00:00",""
"1548969","7.6914","0.0003","8.8535","0.0004","18.0798","0.0009","91.235","0.004","97.803","0.003","92.431","0.003","1218.2","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L.","Spironaphthoxazine switchable dyes for biological imaging.","Chemical science","2018","9","11","3029","3040","10.1039/c8sc00130h","","","1.5418","CuKα","","0.0535","0.0407","","0.1168","0.1051","0.1166","","","","","","0.9898","","","","has coordinates","228854","2020-10-21","18:00:00",""
"1548970","21.138","0.002","21.616","0.002","21.948","0.002","118.123","0.005","106.659","0.006","99.169","0.006","7942","1.5","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.2733","0.1399","","","0.3574","0.4307","","","","","","1.343","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548971","19.692","0.0015","22.3708","0.0016","25.201","0.002","97.908","0.004","108.437","0.003","113.456","0.003","9208.2","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C365.84 H508.52 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.1265","0.09","","","0.2693","0.3069","","","","","","1.021","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548975","27.458","0.004","27.458","0.004","18.225","0.004","90","","90","","90","","13741","4","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying","A trichromatic MOF composite for multidimensional ratiometric luminescent sensing.","Chemical science","2018","9","11","2918","2926","10.1039/c8sc00021b","","","0.71073","synchrotron","","0.033","0.0323","","","0.0926","0.0931","","","","","","1.106","","","","has coordinates","228851","2020-10-21","18:00:00",""
"1548976","10.7604","0.0006","51.619","0.002","18.6745","0.0009","90","","98.394","0.003","90","","10261.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Zn-ortho-1-amide","","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C468 H348 F48 N52 O20 Zn8 -","8","2","","Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J.","Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins.","Chemical science","2018","9","11","2952","2960","10.1039/c7sc04682k","","","0.71073","MoKα","","0.1143","0.0856","","","0.1706","0.1825","","","","","","1.109","","","","has coordinates,has disorder","228855","2020-10-21","18:00:00",""
"1548977","15.1723","0.0003","15.1723","0.0003","12.0747","0.0004","90","","90","","90","","2779.58","0.12","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.4CD4","","","- C9.4 H4 D5.61 O5 V -","- C9.403 H4 D5.608 O5 V -","- C75.224 H32 D44.864 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548978","15.1668","0.0004","15.1668","0.0004","12.0716","0.0004","90","","90","","90","","2776.85","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.5C2D6","","","- C10.63 H4 D8.95 O5 V -","- C10.984 H4 D8.952 O5 V -","- C87.872 H32 D71.616 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548979","15.16316","0.00015","15.16316","0.00015","12.0746","0.0002","90","","90","","90","","2776.21","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0CD4","","","- C9.01 H4 D4.06 O5 V -","- C9.0132 H4 D4.0568 O5 V -","- C72.1056 H32 D32.4544 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548980","15.1613","0.0003","15.1613","0.0003","12.0687","0.0003","90","","90","","90","","2774.17","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300(V3)-1.0C2D2","","","- C10 H4 D2 O5 V -","- C10.008 H4 D2.008 O5 V -","- C80.064 H32 D16.064 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548981","15.1594","0.0003","15.1594","0.0003","12.071","0.0003","90","","90","","90","","2774.01","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D4","","","- C10.14 H4 D4.28 O5 V -","- C10.14 H4 D4.28 O5 V -","- C81.12 H32 D34.24 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548982","15.1661","0.0003","15.1661","0.0003","12.0725","0.0003","90","","90","","90","","2776.8","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D6","","","- C10.07 H4 D6.2 O5 V -","- C10.068 H4 D6.204 O5 V -","- C80.544 H32 D49.632 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548983","15.1457","0.0004","15.1457","0.0004","12.0519","0.0004","90","","90","","90","","2764.61","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.8C2D2","","","- C11.56 H4 D3.56 O5 V -","- C11.564 H4 D3.564 O5 V -","- C92.512 H32 D28.512 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548984","10.9621","0.0004","12.9672","0.0005","13.9252","0.0005","111.325","0.002","99.442","0.002","105.532","0.002","1699.54","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 B5 F30 K5 -","- C15 H10 B5 F30 K5 -","- C30 H20 B10 F60 K10 -","2","1","","Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A.","Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies.","Chemical science","2018","9","12","3215","3220","10.1039/c7sc05420c","","","0.71073","MoKα","","0.032","0.0283","","","0.068","0.0704","","","","","","1.081","","","","has coordinates,has disorder","228863","2020-10-21","18:00:00",""
"1548989","6.861","0.003","10.695","0.004","23.818","0.01","90","","96.101","0.014","90","","1737.8","1.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,8-dimethyl-4,8-diaza-12-oxatriangulenium hexafluorophosphate","","- C21 H15 F6 N2 O P -","- C21 H15 F6 N2 O P -","- C84 H60 F24 N8 O4 P4 -","4","0.5","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.1018","0.0695","","","0.2257","0.235","","","","","","1.228","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548990","8.4805","0.0005","8.5013","0.0004","14.7698","0.0008","74.017","0.002","89.013","0.002","64.503","0.002","917.65","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","12,12-dimethylbenzo[8,1]isochromeno[3,4,5,6-klmn]xanthenium hexafluorophosphate","","- C22 H15 F6 O2 P -","- C22 H15 F6 O2 P -","- C44 H30 F12 O4 P2 -","2","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0823","0.0436","","","0.0934","0.1063","","","","","","1.015","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548991","14.162","0.003","15.264","0.004","20.039","0.005","87.939","0.005","85.555","0.008","62.365","0.008","3826.1","1.6","122.4","","122.4","","","","","","","","","6","P -1","-P 1","2","","'8,12,12-trimethyl-8,12-dihydro-3a2H-benzo[8,1]isochromeno[3,4,5,6-klmn] acridinium hexafluorophosphate'","","- C23 H18 F6 N O P -","- C23 H18 F6 N O P -","- C184 H144 F48 N8 O8 P8 -","8","4","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.2891","0.2362","","","0.5448","0.5657","","","","","","2.056","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548992","14.5591","0.0008","21.6499","0.0015","13.0273","0.0009","90","","90","","90","","4106.2","0.5","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4,8,12,12-tetramethyl-8,12-dihydrobenzo[8,1]isoquinolino[3,4,5,6-klmn]acridinium hexafluorophosphate","","- C24 H21 F6 N2 P -","- C24 H21 F6 N2 P -","- C192 H168 F48 N16 P8 -","8","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0872","0.0435","","","0.0858","0.1015","","","","","","1.041","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548993","10.0222","0.0008","12.1506","0.0011","16.0254","0.0014","69.063","0.004","75.075","0.004","81.389","0.004","1757.6","0.3","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","","","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C70 H70 Cl4 F6 N16 Ni2 O6 S2 -","2","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0375","0.0288","","","0.0711","0.0755","","","","","","1.032","","","","has coordinates,has disorder","228776","2020-10-21","18:00:00",""
"1548994","17.6983","0.0015","6.2954","0.0006","17.442","0.0015","90","","102.677","0.003","90","","1896","0.3","135","","135","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N -","- C22 H35 N -","- C88 H140 N4 -","4","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0445","0.0392","","","0.0964","0.1002","","","","","","1.061","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548995","10.1802","0.0007","20.4136","0.0017","26.689","0.002","90","","90","","90","","5546.4","0.7","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N8 Ni -","- C33 H33 N8 Ni -","- C264 H264 N64 Ni8 -","8","2","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.041","0.0308","","","0.0692","0.0711","","","","","","0.946","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548996","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548997","16.8152","0.0003","15.0512","0.0003","17.5637","0.0004","90","","90","","90","","4445.18","0.16","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C200 H176 F24 N8 O24 S8 -","8","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0447","","","","0.1214","","","","","","1.135","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548998","16.8716","0.0004","7.8975","0.0002","16.7075","0.0005","90","","90.3044","0.001","90","","2226.13","0.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0343","","","","0.0928","","","","","","1.052","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548999","14.6966","0.0003","9.1174","0.00017","17.3812","0.0004","90","","116.062","0.0007","90","","2092.17","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O4 S -","- C23 H20 F3 N O4 S -","- C92 H80 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.035","","","","0.1015","","","","","","1.096","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1549003","9.746","0.002","25.413","0.003","11.319","0.002","90","","105.55","0.02","90","","2700.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Li2 N6 -","- C28 H44 Li2 N6 -","- C112 H176 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0502","0.0427","","","0.1126","0.1184","","","","","","1.062","","","","has coordinates,has disorder","228867","2020-10-21","18:00:00",""
"1549004","12.7937","0.0003","9.7101","0.0003","18.6728","0.0005","90","","94.3121","0.001","90","","2313.12","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Li2 N6 -","- C20 H36 Li2 N6 -","- C80 H144 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.025","0.025","","","","0.026","0.022","","","","","1.577","","","","has coordinates","228867","2020-10-21","18:00:00",""
"1549005","13.864","0.003","30.46","0.003","9.851","0.002","90","","105.18","0.02","90","","4014.9","1.3","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Li2 N6 -","- C40 H68 Li2 N6 -","- C160 H272 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0652","0.0452","","","0.1054","0.117","","","","","","1.049","","","","has coordinates,has disorder","228867","2020-10-21","18:00:00",""
"1549011","15.9555","0.0008","11.5878","0.0004","17.1391","0.0008","90","","116.061","0.006","90","","2846.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl F6 N2 P Rh -","- C27 H29 Cl F6 N2 P Rh -","- C108 H116 Cl4 F24 N8 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0489","0.0378","","","0.0925","0.0999","","","","","","1.027","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549012","12.9507","0.0009","8.31","0.0007","10.5094","0.0008","90","","90","","90","","1131.02","0.15","296","2","296","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C20 H23 Cl F6 N2 P Rh -","- C20 H23 Cl F6 N2 P Rh -","- C40 H46 Cl2 F12 N4 P2 Rh2 -","2","0.5","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0328","0.0303","","","0.0719","0.0758","","","","","","1.047","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549013","8.51582","0.00016","13.5384","0.0004","14.2569","0.0003","94.5969","0.0019","92.9146","0.0016","92.6758","0.0018","1634.15","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H37 Cl F6 N2 O2 P Rh -","- C31 H37 Cl F6 N2 O2 P Rh -","- C62 H74 Cl2 F12 N4 O4 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.051","0.0382","","","0.0766","0.0832","","","","","","1.033","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549014","8.7508","0.0004","14.4955","0.0006","14.5101","0.0006","84.91","0.003","74.415","0.004","82.382","0.003","1754.53","0.14","568","2","568","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H35 Cl F6 N2 O P Rh -","- C36 H35 Cl F6 N2 O P Rh -","- C72 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0504","0.0415","","","0.1089","0.1162","","","","","","1.038","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549015","9.84864","0.00019","10.1712","0.0003","16.1627","0.0003","101.363","0.002","90.9323","0.0017","109.801","0.002","1487.41","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F12 N3 O0.5 P2 Rh -","- C25 H28 F12 N3 O0.5 P2 Rh -","- C50 H56 F24 N6 O P4 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0532","0.0482","","","0.1226","0.1266","","","","","","1.04","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549016","8.0233","0.0004","28.1842","0.0013","16.1096","0.0008","90","","94.393","0.004","90","","3632.2","0.3","150","0.1","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl F6 N2 O P Rh -","- C36 H39 Cl F6 N2 O P Rh -","- C144 H156 Cl4 F24 N8 O4 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.1198","0.0706","","","0.1633","0.1915","","","","","","1.025","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549017","8.40215","0.00019","12.9603","0.0003","15.392","0.0004","80","0.002","86.442","0.002","86.175","0.002","1644.79","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H35 Cl F6 N2 O P Rh -","- C34 H35 Cl F6 N2 O P Rh -","- C68 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0883","0.0897","","","","","","1.051","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549018","8.20707","0.00008","10.08952","0.00012","17.2032","0.0003","82.3397","0.0011","81.4575","0.0011","84.0175","0.0009","1390.95","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H29 Cl F6 N2 O P Rh -","- C28 H29 Cl F6 N2 O P Rh -","- C56 H58 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.0353","0.0281","","","0.0642","0.0681","","","","","","1.057","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549020","12.6727","0.0018","15.398","0.003","11.9061","0.0015","90","","110.633","0.006","90","","2174.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O3 S -","- C27 H20 N2 O3 S -","- C108 H80 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0929","0.0508","","","0.1309","0.1574","","","","","","0.917","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549021","7.089","0.008","7.256","0.008","13.569","0.015","85.46","0.03","77.9","0.03","70.37","0.03","642.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C30 H22 N2 O6 S2 -","2","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.119","0.0577","","","0.1364","0.1751","","","","","","0.812","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549022","25.719","0.007","7.5368","0.0018","11.759","0.003","90","","116.39","0.01","90","","2041.8","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H18 N2 O3 S -","- C27 H18 N2 O3 S -","- C108 H72 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.1027","0.0521","","","0.1205","0.1454","","","","","","0.887","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549023","8.172","0.003","9.666","0.003","20.305","0.007","90","","99.512","0.011","90","","1581.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0762","0.0469","","","0.1295","0.1534","","","","","","1.015","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549029","19.9066","0.0006","19.9066","0.0006","16.1991","0.0009","90","","90","","90","","6419.3","0.4","150.02","0.1","150.02","0.1","","","","","","","","7","I 4","I 4","79","","","","- C86 H162 Co Cr7 F8 N O33 -","- C86 H156 Co Cr7 F8 N O33 -","- C172 H312 Co2 Cr14 F16 N2 O66 -","2","0.25","","Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano","Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.","Chemical science","2018","9","14","3555","3562","10.1039/c8sc00163d","","x-ray","0.71073","MoKα","","0.0839","0.0675","","","0.1852","0.2016","","","","","","1.051","","","","has coordinates,has disorder","228781","2020-10-21","18:00:00",""
"1549035","12.37","0.003","8.1257","0.0014","9.943","0.0018","90","","97.638","0.006","90","","990.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N3 O10 P -","- C3 H6 N3 O10 P -","- C12 H24 N12 O40 P4 -","4","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0944","0.0802","","","0.1749","0.1819","","","","","","0.871","","","","has coordinates","228815","2020-10-21","18:00:00",""
"1549036","7.6451","0.0014","7.8238","0.0017","8.9723","0.0015","100.557","0.019","96.753","0.019","114.76","0.014","467.59","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N3 O9 -","- C4 H7 N3 O9 -","- C8 H14 N6 O18 -","2","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0935","0.0738","","","0.1798","0.2054","","","","","","0.979","","","","has coordinates","228815","2020-10-21","18:00:00",""
"1549042","19.5805","0.0002","9.7595","0.0001","8.9644","0.0001","90","","103.158","0.0012","90","","1668.08","0.03","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N2 O -","- C17 H19 B F4 N2 O -","- C68 H76 B4 F16 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0399","0.0361","","0.0971","0.0942","0.0971","","","","","","0.9896","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549043","9.49835","0.00014","11.89113","0.00017","22.8675","0.0003","90","","90","","90","","2582.8","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0281","0.0272","","0.0713","0.0703","0.0713","","","","","","0.992","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549044","5.40542","0.00018","6.94898","0.00018","16.0701","0.0004","90","","95.864","0.003","90","","600.47","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C20 H32 I2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0278","0.0254","","","0.0629","0.0642","","","","","","1.075","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549045","15.1489","0.0004","13.2904","0.0004","24.594","0.0008","90","","97.293","0.003","90","","4911.6","0.3","159.95","0.1","159.95","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H66 Cl2 N10 O16 -","- C40 H66 Cl2 N10 O16 -","- C160 H264 Cl8 N40 O64 -","4","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1208","0.125","","","","","","1.07","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549046","18.7661","0.0005","8.8339","0.0002","9.6084","0.0003","90","","100.318","0.003","90","","1567.1","0.07","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N2 O -","- C17 H19 Cl N2 O -","- C68 H76 Cl4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0406","0.0381","","0.0965","0.0949","0.0965","","","","","","0.9683","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549047","7.10113","0.0001","13.625","0.0002","20.6821","0.0003","90","","91.5054","0.0012","90","","2000.36","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N5 O3 -","- C19 H24 Cl N5 O3 -","- C76 H96 Cl4 N20 O12 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0456","0.0408","","","0.1095","0.1143","","","","","","1.032","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549048","13.5545","0.0002","5.84781","0.00007","14.1657","0.0002","90","","110.071","0.002","90","","1054.64","0.03","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H32 N2 O6 -","- C22 H32 N2 O6 -","- C44 H64 N4 O12 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0418","0.0337","","","0.0811","0.0864","","","","","","1.05","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549049","24.3732","0.0002","10.4084","0.0001","9.9932","0.0001","90","","93.1701","0.0009","90","","2531.26","0.04","160","","160","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F18 K N3 P2 S -","- C14 H18 F18 K N3 P2 S -","- C56 H72 F72 K4 N12 P8 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0496","0.0441","","0.1087","0.1053","0.1087","","","","","","1.0134","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549050","8.6454","0.0001","9.463","0.0001","20.0392","0.0002","90","","96.753","0.0009","90","","1628.06","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O8 S -","- C34 H42 N4 O8 S -","- C68 H84 N8 O16 S2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0441","0.0417","","0.1063","0.1038","0.1063","","","","","","0.954","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549051","20.7561","0.0002","9.5134","0.0001","8.5352","0.0001","90","","96.5078","0.0009","90","","1674.51","0.03","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N2 O5 P -","- C17 H21 N2 O5 P -","- C68 H84 N8 O20 P4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0312","0.0294","","0.0761","0.075","0.0761","","","","","","0.9648","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549052","10.9874","0.0001","14.2737","0.0001","23.2106","0.0001","90","","90.2783","0.0005","90","","3640.1","0.04","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br F6 N3 S -","- C14 H18 Br F6 N3 S -","- C112 H144 Br8 F48 N24 S8 -","8","2","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0233","0.0224","","0.0565","0.056","0.0565","","","","","","1.001","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549053","8.81","0.0001","9.7133","0.0002","21.7147","0.0004","90","","100.169","0.0016","90","","1829.03","0.06","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48.7 N4 O11.35 -","- C38 H48 N4 O11.348 -","- C76 H96 N8 O22.696 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0451","0.0411","","","0.1118","0.1144","","","","","","1.049","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549054","19.8981","0.0007","8.0213","0.0002","10.8806","0.0003","90","","100.435","0.003","90","","1707.92","0.09","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0401","0.0338","","0.0873","0.0819","0.0873","","","","","","0.977","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549055","19.6674","0.0003","8.1224","0.0001","10.8447","0.0002","90","","105.289","0.0016","90","","1671.09","0.05","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0246","0.0226","","0.0622","0.0605","0.0622","","","","","","0.9797","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549056","7.32726","0.00012","18.9411","0.0003","25.6662","0.0005","90","","90","","90","","3562.12","0.11","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C120 H192 I12 N12 O12 -","12","3","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0258","0.0225","","","0.0472","0.048","","","","","","1.067","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549057","7.2565","0.0003","6.1232","0.0003","12.557","0.0006","90","","102.256","0.005","90","","545.23","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","0.71073","MoKα","","0.0338","0.0302","","","0.0722","0.0737","","","","","","1.059","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549058","6.09862","0.00006","7.52704","0.00009","27.3811","0.0003","90","","90","","90","","1256.92","0.02","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O S -","- C11 H16 N2 O S -","- C44 H64 N8 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0267","0.0258","","","0.0672","0.0676","","","","","","1.048","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549059","22.3684","0.0007","8.4156","0.0001","15.6852","0.0004","90","","130.585","0.005","90","","2242.36","0.19","160","","160","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H46 N4 O16 Sb2 -","- C42 H46 N4 O16 Sb2 -","- C84 H92 N8 O32 Sb4 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0458","0.0453","","0.1194","0.1189","0.1194","","","","","","0.9417","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549060","10.1433","0.0004","18.6189","0.0006","14.0467","0.0005","90","","99.569","0.003","90","","2615.91","0.16","160","","160","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0721","0.0578","","0.148","0.1365","0.1478","","","","","","1.0133","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549061","7.4467","0.0002","6.20961","0.00016","12.5863","0.0004","90","","101.176","0.003","90","","570.97","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Br N O -","- C10 H16 Br N O -","- C20 H32 Br2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.038","0.0303","","","0.0716","0.0749","","","","","","1.045","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549062","9.0081","0.0001","9.3218","0.0001","19.4957","0.0002","90","","95.351","0.0009","90","","1629.95","0.03","160","","160","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O8 -","- C36 H38 N4 O8 -","- C72 H76 N8 O16 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0356","0.0344","","0.0984","0.0973","0.0984","","","","","","0.9838","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549063","12.9279","0.0002","12.5457","0.00015","13.139","0.00015","90","","109.843","0.0012","90","","2004.48","0.05","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl I N5 O -","- C19 H23 Cl I N5 O -","- C76 H92 Cl4 I4 N20 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0527","0.0336","","","0.0626","0.0684","","","","","","1.025","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549068","15.3025","0.0006","16.0955","0.0006","22.2445","0.0009","94.998","0.002","108.991","0.002","92.221","0.002","5147.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C140.5 H113.5 Cl5.5 O1.5 -","- C119 H94 Cl2 O -","- C238 H188 Cl4 O2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.1171","0.0996","","","0.2829","0.3003","","","","","","1.054","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549069","14.3675","0.0008","17.3718","0.0011","18.9206","0.0012","67.525","0.003","86.143","0.003","89.598","0.003","4352.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H103 F3 O4 S -","- C116 H103 F3 O4 S -","- C232 H206 F6 O8 S2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.0872","0.072","","","0.1869","0.2004","","","","","","1.036","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549080","15.4892","0.0008","7.8471","0.0004","15.5804","0.0009","90","","114.831","0.007","90","","1718.65","0.19","153","7","153","7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CX11","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.","Mechano-induced persistent room-temperature phosphorescence from purely organic molecules.","Chemical science","2018","9","15","3782","3787","10.1039/c8sc00429c","","","1.54184","CuKα","","0.0454","0.0361","","","0.0896","0.0959","","","","","","1.107","","","","has coordinates","228813","2020-10-21","18:00:00",""
"1549081","21.5605","0.0015","26.1802","0.0019","19.2608","0.0013","90","","90","","90","","10871.9","1.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H83 B2 Li O4 -","- C57 H83 B2 Li O4 -","- C456 H664 B16 Li8 O32 -","8","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2038","0.086","","","0.1598","0.2033","","","","","","0.946","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549082","10.7242","0.0012","21.4641","0.0016","24.027","0.003","90","","97.208","0.009","90","","5487","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H85 B2 Li O4 -","- C56 H85 B2 Li O4 -","- C224 H340 B8 Li4 O16 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2251","0.1344","","","0.2573","0.2877","","","","","","1.443","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549083","5.974","0.0009","14.639","0.002","21.461","0.003","82.273","0.012","89.91","0.012","86.79","0.012","1856.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.7107","MoKα","","0.185","0.088","","","0.1686","0.1839","","","","","","1.207","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549084","12.9451","0.0008","18.3459","0.0007","27.0962","0.0017","90","","101.393","0.005","90","","6308.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 B2 Li2 O7 -","- C66 H98 B2 Li2 O7 -","- C264 H392 B8 Li8 O28 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1447","0.0785","","","0.1585","0.1797","","","","","","1.134","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549085","14.775","0.001","19.9973","0.001","17.9098","0.0012","90","","109.105","0.005","90","","5000.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H75 B2 Li O3 -","- C53 H75 B2 Li O3 -","- C212 H300 B8 Li4 O12 -","4","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1458","0.0712","","","0.1404","0.167","","","","","","0.91","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549086","12.2698","0.001","43.946","0.003","21.961","0.002","90","","90","","90","","11841.6","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C61 H90 B2 Cl Li O8 -","- C61 H90 B2 Cl Li O8 -","- C488 H720 B16 Cl8 Li8 O64 -","8","0.5","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1296","0.0854","","","0.1603","0.178","","","","","","1.121","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549087","19.497","0.0015","24.7864","0.0018","23.972","0.002","90","","92.463","0.007","90","","11574","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 B2 Li O4 -","- C63 H87 B2 Li O4 -","- C504 H696 B16 Li8 O32 -","8","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2818","0.121","","","0.207","0.2432","","","","","","1.302","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549088","41.344","0.003","14.272","0.0012","6.1349","0.0005","90","","90","","90","","3620","0.5","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C43 H54 B2 -","- C43 H54 B2 -","- C172 H216 B8 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1448","0.0673","","","0.1049","0.1282","","","","","","0.84","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549089","10.4041","0.0003","11.5484","0.0003","25.736","0.0007","79.323","0.002","85.313","0.002","81.22","0.002","2998.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H84 B2 O -","- C70 H84 B2 O -","- C140 H168 B4 O2 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.0782","0.0673","","","0.1755","0.1838","","","","","","1.037","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549094","7.7604","0.0008","5.9132","0.0006","49.45","0.004","90","","95.879","0.009","90","","2257.3","0.4","95","","95","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0641","0.052","","0.0707","0.0619","0.0652","","","","","","1.116","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549095","7.856","0.0007","5.8413","0.0006","49.561","0.004","90","","95.46","0.008","90","","2264","0.4","135","","135","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0391","0.0339","","0.084","0.0776","0.0813","","","","","","0.9222","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549096","8.0891","0.0006","5.7282","0.0004","49.849","0.004","90","","94.255","0.006","90","","2303.4","0.3","215","","215","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0373","0.0325","","0.0773","0.0711","0.0736","","","","","","0.8551","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549097","7.9306","0.0005","5.8288","0.0004","49.645","0.003","90","","95.171","0.005","90","","2285.5","0.3","155","","155","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0442","0.0354","","0.0625","0.0519","0.0545","","","","","","0.9734","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549098","7.9631","0.0006","5.8073","0.0004","49.723","0.003","90","","94.85","0.006","90","","2291.2","0.3","175","","175","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0353","","0.0868","0.0809","0.0848","","","","","","0.8841","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549099","8.3546","0.0005","5.6236","0.0003","50.168","0.003","90","","93.146","0.005","90","","2353.5","0.2","275","","275","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0471","0.0368","","0.0603","0.0541","0.0575","","","","","","0.9597","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549100","8.0248","0.0006","5.7688","0.0005","49.827","0.004","90","","94.591","0.007","90","","2299.3","0.3","195","","195","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0366","0.0326","","0.0667","0.0603","0.0624","","","","","","0.9514","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549101","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0407","0.0361","","0.0972","0.0876","0.0915","","","","","","0.7832","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549102","7.8186","0.0005","5.8811","0.0003","49.458","0.003","90","","95.762","0.006","90","","2262.7","0.2","115","","115","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0326","0.0296","","0.0651","0.0624","0.0639","","","","","","0.9209","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549103","8.1615","0.0007","5.6918","0.0005","49.87","0.004","90","","93.819","0.007","90","","2311.5","0.3","235","","235","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0394","0.0339","","0.083","0.0778","0.0804","","","","","","0.8332","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549104","8.2606","0.0006","5.6541","0.0003","49.944","0.003","90","","93.621","0.006","90","","2328","0.3","255","","255","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0359","","0.0696","0.063","0.066","","","","","","0.988","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549107","11.059","0.0005","12.1681","0.0006","15.1847","0.0008","75.96","0.003","89.526","0.002","89.997","0.002","1982.25","0.17","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Br2 F4 Ni2 P4 -","- C30 H60 Br2 F4 Ni2 P4 -","- C60 H120 Br4 F8 Ni4 P8 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71073","MoKα","","0.0283","0.0252","","0.0627","0.0609","0.0627","","","","","","1.0189","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549108","8.0074","0.0004","11.3665","0.0004","12.9665","0.0005","90","","94.616","0.004","90","","1176.33","0.09","199.8","1","199.8","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0783","0.0801","","","","","","1.035","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549109","7.8675","0.0005","11.3291","0.0003","12.9347","0.0006","90","","94.392","0.005","90","","1149.51","0.1","110.05","0.1","110.05","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0592","0.0595","","","","","","1.058","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549110","8.13398","0.00018","8.13398","0.00018","31.6136","0.001","90","","90","","90","","2091.61","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18 H30 F4 Ni P2 -","- C18 H30 F4 Ni P2 -","- C72 H120 F16 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0637","0.0549","","","0.086","0.089","","","","","","1.21","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549111","12.6196","0.0002","14.8011","0.0004","13.2994","0.0002","90","","90","","90","","2484.11","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","Vargini's Ni(I)(PEt3)2(C6F4I)","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.022","0.0204","","","0.0434","0.0447","","","","","","1.065","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549112","14.0519","0.0002","14.4485","0.0003","24.3473","0.0005","90","","90","","90","","4943.2","0.16","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0429","0.029","","","0.0534","0.0593","","","","","","1.118","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549113","9.9032","0.0003","16.1922","0.0006","15.2884","0.0007","90","","93.913","0.004","90","","2445.85","0.16","110.1","0.2","110.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0816","0.0578","","","0.1011","0.1088","","","","","","1.22","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549114","9.4116","0.0005","12.701","0.0008","9.727","0.0005","90","","95.377","0.005","90","","1157.62","0.11","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0846","0.0876","","","","","","0.992","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549115","7.892","0.0005","11.3325","0.0004","12.9439","0.0005","90","","94.434","0.005","90","","1154.19","0.1","111","2","111","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0364","0.0312","","","0.0611","0.0622","","","","","","0.969","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549116","9.95341","0.00011","16.0611","0.0002","15.04577","0.00013","90","","97.0034","0.0009","90","","2387.31","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C72 H120 Cl4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71","MoKα","","0.0343","0.0254","","","0.0496","0.0537","","","","","","1.031","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549117","9.95422","0.00018","16.0712","0.0003","15.0877","0.0003","90","","95.7803","0.0019","90","","2401.4","0.08","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Br F4 I Ni P2 -","- C18 H30 Br F4 I Ni P2 -","- C72 H120 Br4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0435","0.0277","","","0.0543","0.0601","","","","","","1.049","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549118","17.1652","0.0015","8.5185","0.0013","16.935","0.002","90","","96.803","0.01","90","","2458.8","0.5","240","0.14","240","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C72 H120 F20 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0769","0.0559","","","0.1623","0.1825","","","","","","1.077","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549119","9.2736","0.0002","13.2118","0.0003","9.817","0.0002","90","","95.22","0.002","90","","1197.8","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C36 H60 Cl2 F8 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0288","","","0.0636","0.0655","","","","","","1.023","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549120","7.8141","0.0003","12.9211","0.0004","14.7784","0.0005","76.749","0.003","79.7","0.003","76.748","0.003","1401.12","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F4 I2 Ni P2 -","- C26 H30 F4 I2 Ni P2 -","- C52 H60 F8 I4 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.031","0.0248","","","0.0526","0.0566","","","","","","0.948","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549121","12.19004","0.00019","28.0191","0.0005","14.2344","0.0002","90","","91.6129","0.0013","90","","4859.89","0.13","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","2","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","1.54184","CuKα","","0.0429","0.0358","","","0.0858","0.0904","","","","","","1.027","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549122","17.9956","0.0003","14.2843","0.0002","23.6299","0.0003","90","","111.37","0.001","90","","5656.57","0.15","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Fe N6 O4 P2 -","- C69 H54 Fe N6 O4 P2 -","- C276 H216 Fe4 N24 O16 P8 -","4","1","","Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen","C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex.","Chemical science","2018","9","16","3992","4002","10.1039/c7sc05378a","","","1.54178","CuKα","","0.102","0.0852","","","0.2194","0.232","","","","","","1.065","","","","has coordinates,has disorder","228747","2020-10-21","18:00:00",""
"1549123","27.5449","0.0003","55.4159","0.0008","10.2412","0.0015","90","","90","","90","","15632","2","193","","193","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62 H34 F12 Fe N6 P2 -","- C62 H34 F12 Fe N6 P2 -","- C496 H272 F96 Fe8 N48 P16 -","8","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0399","0.0366","","0.0455","0.0428","0.0419","","","","","","1.0494","","","","has coordinates","228817","2020-10-21","18:00:00",""
"1549124","16.392","0.0001","16.392","0.0001","21.9038","0.0002","90","","90","","90","","5885.5","0.07","123","","123","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C66 H44 F12 N6 O P2 Ru -","- C66 H44 F12 N6 O P2 Ru -","- C264 H176 F48 N24 O4 P8 Ru4 -","4","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0341","0.0335","","","0.0967","0.0974","","","","","","1.027","","","","has coordinates,has disorder","228817","2020-10-21","18:00:00",""
"1549133","6.6287","0.0003","16.4246","0.0008","21.5858","0.0011","90","","90","","90","","2350.1","0.2","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Au F6 N O Sb -","- C23 H23 Au F6 N O Sb -","- C92 H92 Au4 F24 N4 O4 Sb4 -","4","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0315","0.0262","","","0.0451","0.0466","","","","","","0.999","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549134","7.4651","0.0004","9.8244","0.0005","16.963","0.0009","98.935","0.002","91.454","0.002","106.868","0.002","1172.83","0.11","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H22 Au Cl4 N -","- C24 H22 Au Cl4 N -","- C48 H44 Au2 Cl8 N2 -","2","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0299","0.0247","","","0.0561","0.0583","","","","","","1.093","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549135","10.9502","0.0008","20.9614","0.0014","20.7528","0.0017","90","","97.766","0.006","90","","4719.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H62 N2 P2 -","- C55 H62 N2 P2 -","- C220 H248 N8 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1814","0.1016","","","0.2418","0.3141","","","","","","1.029","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549136","8.3846","0.0012","21.347","0.003","11.6195","0.0015","90","","111.081","0.009","90","","1940.5","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 P2 -","- C48 H52 P2 -","- C96 H104 P4 -","2","0.5","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0594","0.0421","","","0.1039","0.1147","","","","","","1.042","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549137","8.304","0.003","23.286","0.008","13.9","0.005","90","","90.34","0.02","90","","2687.8","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N2 P -","- C31 H37 N2 P -","- C124 H148 N8 P4 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1245","0.0556","","","0.133","0.1634","","","","","","1.022","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549138","16.9466","0.0007","20.6986","0.0009","23.0289","0.001","90","","90","","90","","8077.9","0.6","151.25","","151.25","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C384 H416 O8 P16 -","8","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0822","0.0616","","","0.1624","0.1791","","","","","","1.025","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549139","16.228","0.0018","16.3739","0.0019","17.6769","0.0019","90","","93.71","0.008","90","","4687.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1117","0.0549","","","0.1173","0.1454","","","","","","1.012","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549140","10.6269","0.0003","14.921","0.0005","17.4851","0.0007","108.065","0.003","102.085","0.003","91.766","0.002","2563.72","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","7,7'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2-phenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) and pyrene","","- C65 H42 F6 N4 O11 -","- C65 H42 F6 N4 O11 -","- C130 H84 F12 N8 O22 -","2","1","","Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M.","Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set.","Chemical science","2018","9","17","4052","4061","10.1039/c8sc00830b","","","1.54184","CuKα","","0.0616","0.0516","","0.0999","0.0927","0.0999","","","","","","0.9721","","","","has coordinates,has disorder","228721","2020-10-21","18:00:00",""
"1549141","22.653","0.002","8.3251","0.0007","15.2916","0.0013","90","","107.682","0.003","90","","2747.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 B N2 -","- C34 H37 B N2 -","- C136 H148 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1462","0.0642","","","0.1199","0.1471","","","","","","1.014","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549142","7.925","0.0004","21.8524","0.0008","16.0075","0.0006","90","","98.766","0.002","90","","2739.8","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1264","0.0861","","","0.2213","0.2442","","","","","","1.15","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549143","10.294","0.003","11.896","0.004","13.128","0.005","66.239","0.011","88.621","0.011","75.243","0.012","1417.2","0.8","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C68 H78 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1333","0.0671","","","0.1647","0.2045","","","","","","1.036","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549144","8.41","0.005","34.22","0.02","10.14","0.007","90","","97.87","0.02","90","","2891","3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C136 H156 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1708","0.0729","","","0.1755","0.2124","","","","","","1.03","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549145","7.9779","0.0004","21.8456","0.0011","15.7662","0.0008","90","","98.411","0.002","90","","2718.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1222","0.0642","","","0.1418","0.1665","","","","","","1.019","","","","has coordinates,has disorder","228811","2020-10-21","18:00:00",""
"1549146","7.2959","0.0003","22.3592","0.0008","17.984","0.0007","90","","92.626","0.002","90","","2930.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 B N O -","- C35 H40 B N O -","- C140 H160 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1","0.0628","","","0.1449","0.1614","","","","","","1.051","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549147","8.1029","0.0004","11.3778","0.0006","18.5298","0.0011","87.821","0.002","85.222","0.002","71.032","0.002","1609.84","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43 B N2 -","- C39 H43 B N2 -","- C78 H86 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1148","0.0625","","","0.153","0.1761","","","","","","1.074","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549148","32.54","0.04","9.129","0.01","9.286","0.012","90","","90","","90","","2758","6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 B N S -","- C32 H34 B N S -","- C128 H136 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1957","0.0801","","","0.1818","0.2266","","","","","","1.004","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549149","7.868","0.002","12.043","0.004","16.695","0.005","69.575","0.008","77.359","0.008","76.219","0.009","1423.7","0.7","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 B N -","- C34 H38 B N -","- C68 H76 B2 N2 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.2064","0.09","","","0.1975","0.238","","","","","","1.032","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549150","11.4473","0.001","11.8684","0.0011","15.9919","0.0015","94.282","0.004","106.166","0.003","114.679","0.003","1850.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H49 B N2 -","- C45 H49 B N2 -","- C90 H98 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1533","0.0746","","","0.1766","0.2135","","","","","","0.972","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549151","22.112","0.006","8.318","0.002","15.429","0.004","90","","110.321","0.008","90","","2661.2","1.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 B N2 -","- C33 H35 B N2 -","- C132 H140 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1778","0.0973","","","0.212","0.2474","","","","","","1.059","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549152","11.8634","0.0007","11.878","0.0008","18.2134","0.0011","90","","92.179","0.002","90","","2564.7","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N -","- C31 H32 B N -","- C124 H128 B4 N4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.0841","0.0581","","","0.145","0.1595","","","","","","1.063","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549153","7.3461","0.0017","7.8073","0.0019","12.765","0.003","81.469","0.004","78.051","0.004","86.599","0.004","708","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H19 B10 N -","- C9 H19 B10 N -","- C18 H38 B20 N2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0995","0.0607","","","0.1541","0.1751","","","","","","0.977","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549154","12.4232","0.0005","14.9794","0.0006","13.9157","0.0005","90","","109.509","0.001","90","","2440.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 B10 Br2 N -","- C21 H25 B10 Br2 N -","- C84 H100 B40 Br8 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0327","0.0257","","","0.0619","0.0653","","","","","","1.053","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549155","18.1161","0.001","8.1173","0.0005","18.6508","0.0011","90","","113.681","0.002","90","","2511.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0571","0.0518","","","0.2127","0.2324","","","","","","1.118","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549156","8.0494","0.0007","15.8108","0.0012","20.486","0.002","90","","90","","90","","2607.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B10 N -","- C25 H35 B10 N -","- C100 H140 B40 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1101","0.062","","","0.1271","0.1429","","","","","","0.953","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549157","7.7385","0.0006","10.4142","0.0008","15.9824","0.0011","92.169","0.003","102.976","0.002","99.951","0.003","1232.3","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 B10 N2 O2 S -","- C21 H28 B10 N2 O2 S -","- C42 H56 B20 N4 O4 S2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0946","0.053","","","0.1212","0.1362","","","","","","0.893","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549158","10.5093","0.0006","22.2105","0.0013","15.7027","0.0007","90","","105.021","0.002","90","","3540","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 B10 N O P Pd -","- C34 H35 B10 N O P Pd -","- C136 H140 B40 N4 O4 P4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0792","0.0481","","","0.0984","0.109","","","","","","1","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549159","14.4456","0.0007","13.2757","0.0006","19.9354","0.0008","90","","90.292","0.002","90","","3823.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B20 N2 O Pd -","- C25 H40 B20 N2 O Pd -","- C100 H160 B80 N8 O4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0947","0.0587","","","0.1535","0.174","","","","","","1.051","","","","has coordinates,has disorder","228748","2020-10-21","18:00:00",""
"1549160","17.6118","0.0012","12.1001","0.0009","20.3538","0.0016","90","","94.094","0.003","90","","4326.4","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 B10 N -","- C19 H31 B10 N -","- C152 H248 B80 N8 -","8","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1079","0.0589","","","0.1165","0.1303","","","","","","1.018","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549222","19.931","0.008","12.616","0.008","21.565","0.012","90","","109.346","0.014","90","","5116","5","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H37 N2 O2 P -","- C24 H37 N2 O2 P -","- C192 H296 N16 O16 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0571","0.0485","","","0.1339","0.1426","","","","","","1.033","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549223","8.3589","0.0017","16.491","0.003","18.049","0.004","90","","93.77","0.03","90","","2482.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N4 P -","- C24 H41 N4 P -","- C96 H164 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.1026","0.0798","","","0.1936","0.207","","","","","","1.086","","","","has coordinates,has disorder","228819","2020-10-21","18:00:00",""
"1549224","8.587","0.002","17.687","0.005","16.43","0.005","90","","99.539","0.006","90","","2460.9","1.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N2 O2 P -","- C26 H33 N2 O2 P -","- C104 H132 N8 O8 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0576","0.0494","","","0.1325","0.1385","","","","","","0.997","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549225","12.8565","0.0018","9.4531","0.0013","19.152","0.003","90","","96.382","0.004","90","","2313.2","0.6","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N4 P -","- C26 H31 N4 P -","- C104 H124 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0489","0.0432","","","0.1188","0.1248","","","","","","1.035","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549226","27.535","0.006","11.39","0.002","20.157","0.004","90","","129.45","0.03","90","","4881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H74 N4 O4 P2 -","- C48 H74 N4 O4 P2 -","- C192 H296 N16 O16 P8 -","4","0.5","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0838","0.0715","","","0.1978","0.2046","","","","","","1.111","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549227","9.2449","0.0012","21.052","0.003","20.977","0.003","90","","94.271","0.002","90","","4071.3","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O4 P2 -","- C38 H54 N4 O4 P2 -","- C152 H216 N16 O16 P8 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0902","0.0749","","","0.2038","0.2112","","","","","","1.157","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549228","19.707","0.005","17.611","0.004","20.439","0.005","90","","90","","90","","7094","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B N2 O5 P -","- C34 H50 B N2 O5 P -","- C272 H400 B8 N16 O40 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.067","0.0535","","","0.2029","0.2269","","","","","","0.96","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549236","11.269","0.0004","7.3358","0.0003","14.2605","0.0005","90","","101.418","0.001","90","","1155.54","0.07","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 B Br2 N -","- C27 H22 B Br2 N -","- C54 H44 B2 Br4 N2 -","2","1","","Zhang, Weidong; Li, Guoping; Xu, Letian; Zhuo, Yue; Wan, Wenming; Yan, Ni; He, Gang","9,10-Azaboraphenanthrene-containing small molecules and conjugated polymers: synthesis and their application in chemodosimeters for the ratiometric detection of fluoride ions.","Chemical science","2018","9","19","4444","4450","10.1039/c8sc00688a","","","0.71073","MoKα","","0.0304","0.0271","","","0.0646","0.0664","","","","","","1.051","","","","has coordinates","228743","2020-10-21","18:00:00",""
"1549237","12.0663","0.0006","10.1526","0.0005","18.2867","0.001","90","","103.196","0.002","90","","2181.05","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-(5-chloro-2-ethoxy-3-(isopropylthio)phenyl)-2-cyclohexylacetyl) oxazolidin-2-one","","- C22 H30 Cl N O4 S -","- C22 H30 Cl N O4 S -","- C88 H120 Cl4 N4 O16 S4 -","4","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.0497","0.0366","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549238","22.362","0.013","58.28","0.03","5.779","0.004","90","","90","","90","","7532","8","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(2-phenyl-2-(4-(phenylthio)phenyl)acetyl)oxazolidin-2-one","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C368 H304 N16 O48 S16 -","16","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.1154","0.0627","","","0.1219","0.1412","","","","","","1.018","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549239","11.7592","0.0013","10.1198","0.001","32.161","0.003","90","","90","","90","","3827.2","0.7","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(1-cyclohexyl-2-oxo-2-(2-oxooxazolidin-3-yl)ethyl)-2-(methylthio)phenyl acetate","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C160 H200 N8 O40 S8 -","8","2","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","","0.71073","MoKα","","0.0457","0.0445","","","0.1147","0.1156","","","","","","1.081","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549244","14.617","0.007","14.759","0.007","21.243","0.01","90","","107.874","0.01","90","","4362","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cu F6 N3 Sb Si3 -","- C36 H56 Cu F6 N3 Sb Si3 -","- C144 H224 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.1162","0.0586","","","0.1179","0.1441","","","","","","1.01","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549245","13.3555","0.0016","13.9173","0.0016","18.181","0.002","90","","102.245","0.003","90","","3302.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cu F6 N2 Sb -","- C33 H42 Cu F6 N2 Sb -","- C132 H168 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0958","0.0516","","","0.0932","0.1086","","","","","","1.027","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549246","10.506","0.005","20.813","0.009","20.435","0.009","90","","104.638","0.01","90","","4323","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl2 Cu F6 N2 Sb -","- C40 H56 Cl2 Cu F6 N2 Sb -","- C160 H224 Cl8 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.125","0.0632","","","0.1003","0.1066","","","","","","1.971","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549247","13.605","0.004","14.057","0.004","21.79","0.008","90","","107.833","0.009","90","","3967","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 Cu F6 N3 Sb Si3 -","- C33 H59 Cu F6 N3 Sb Si3 -","- C132 H236 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0834","0.0382","","","0.0642","0.0772","","","","","","1.094","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549253","14.6519","0.0006","15.5746","0.0006","27.2406","0.001","90","","90","","90","","6216.2","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","MK402","","","- C26 H49 F3 Ir N2 O2 P2 -","- C26 H49 F3 Ir N2 O2 P2 -","- C208 H392 F24 Ir8 N16 O16 P16 -","8","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0278","0.0193","","","0.0362","0.0386","","","","","","1.031","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549254","11.2846","0.001","14.9634","0.0013","19.8058","0.0017","90","","92.013","0.003","90","","3342.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MK461","","","- C31 H55 Ir N2 O2 P2 -","- C31 H55 Ir N2 O2 P2 -","- C124 H220 Ir4 N8 O8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0696","0.0399","","","0.0642","0.0712","","","","","","1.073","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549255","11.0958","0.0006","15.4511","0.0008","16.0856","0.0009","90","","100.56","0.002","90","","2711","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MK352","","","- C24 H49 Ir N2 P2 -","- C24 H49 Ir N2 P2 -","- C96 H196 Ir4 N8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0253","0.0175","","","0.034","0.0374","","","","","","1.192","","","","has coordinates","228822","2020-10-21","18:00:00",""
"1549256","7.9728","0.0003","21.7175","0.0009","8.7383","0.0003","90","","113.559","0.001","90","","1386.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","MK 460","","","- C25 H49 Ir N2 O2 P2 -","- C25 H49 Ir N2 O2 P2 -","- C50 H98 Ir2 N4 O4 P4 -","2","0.5","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0272","0.0212","","","0.0369","0.038","","","","","","1.12","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549269","5.4738","0.0009","16.81","0.003","14.183","0.002","90","","95.627","0.007","90","","1298.8","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 Br N2 O3 -","- C28 H33 Br N2 O3 -","- C56 H66 Br2 N4 O6 -","2","1","","Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2018","9","18","4348","4351","10.1039/c8sc00808f","","","0.71075","MoKα","","0.0891","0.0596","","","0.128","0.1407","","","","","","1.018","","","","has coordinates","228821","2020-10-21","18:00:00",""
"1549270","12.0961","0.0004","12.0961","0.0004","30.6664","0.0011","90","","90","","120","","3885.8","0.2","130.01","0.1","130.01","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C192 H198 N6 O18 -","6","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","0.71073","MoKα","","0.0879","0.0546","","","0.1232","0.1439","","","","","","1.033","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549271","10.2041","0.0002","12.0967","0.0002","10.8841","0.0002","90","","109.609","0.002","90","","1265.57","0.04","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C64 H66 N2 O6 -","2","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0738","0.0742","","","","","","1.081","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549273","10.5101","0.0004","20.6596","0.0009","22.4637","0.0008","90","","90","","90","","4877.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Cl4 Cu2 O4 P4 -","- C45 H58 Cl4 Cu2 O4 P4 -","- C180 H232 Cl16 Cu8 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0343","0.0315","","","0.0802","0.0816","","","","","","1.037","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549274","13.69","0.0007","16.8264","0.0008","30.4315","0.0014","90","","90","","90","","7010","0.6","100","2","99.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C256 H368 Cl8 Cu8 N16 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0407","0.035","","","0.1064","0.1105","","","","","","1.06","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549275","28.898","0.003","11.2532","0.0009","21.7565","0.0019","90","","105.318","0.005","90","","6823.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 B F15 P -","- C36 H35 B F15 P -","- C288 H280 B8 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","1.54178","CuKα","","0.1662","0.1155","","","0.2947","0.3337","","","","","","1.019","","","","has coordinates","228833","2020-10-21","18:00:00",""
"1549276","10.9369","0.0002","12.602","0.0002","15.7611","0.0004","90.384","0.001","97.992","0.001","111.759","0.002","1993.92","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 B F15 O2 P S -","- C36 H33 B F15 O2 P S -","- C72 H66 B2 F30 O4 P2 S2 -","2","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0598","0.0496","","","0.1112","0.1175","","","","","","1.033","","","","has coordinates","228833","2020-10-21","18:00:00",""
"1549277","20.8497","0.0008","16.0333","0.0006","23.8954","0.0009","90","","90","","90","","7988","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 B Cl4 F15 P -","- C38 H37 B Cl4 F15 P -","- C304 H296 B8 Cl32 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0499","0.0405","","","0.0993","0.1073","","","","","","1.047","","","","has coordinates,has disorder","228833","2020-10-21","18:00:00",""
"1549278","9.5578","0.0012","20.653","0.002","8.4644","0.001","90","","108.514","0.006","90","","1584.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0953","0.0687","","","0.1679","0.1948","","","","","","1.049","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549279","7.6388","0.001","11.2206","0.0013","11.3511","0.0013","116.079","0.003","109.218","0.004","91.505","0.004","808.23","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C36 H40 Br2 N2 O2 -","2","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0258","0.0237","","","0.063","0.0643","","","","","","1.06","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549280","11.282","0.007","11.457","0.007","14.934","0.009","84.071","0.019","88.539","0.015","84.074","0.013","1910","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H19.5 Cl1.5 N O3 -","- C21.5 H19.5 Cl1.5 N O3 -","- C86 H78 Cl6 N4 O12 -","4","2","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0704","0.0451","","","0.0929","0.1031","","","","","","1.028","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549281","11.8837","0.001","10.0611","0.0007","19.6889","0.0016","90","","107.518","0.003","90","","2244.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0637","0.0513","","","0.1177","0.1254","","","","","","1.064","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549282","11.3925","0.0006","16.9868","0.0008","21.7195","0.0011","94.871","0.002","98.674","0.002","92.305","0.002","4134.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","CoTpAd,MeOTf","","- C43 H58 B Co F3 N6 O3 S -","- C43 H58 B Co F3 N6 O3 S -","- C172 H232 B4 Co4 F12 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","","0.71073","MoKα","","0.0646","0.0411","","","0.0979","0.1106","","","","","","1.03","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549283","10.4248","0.0007","12.9027","0.0009","15.4799","0.0011","101.302","0.002","105.089","0.002","113.446","0.002","1735.7","0.2","100","2","100","2","","","","","","","","9","P 1","P 1","1","","[CoTptBuPhIO][BArF4]","","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","1","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.029","0.0256","","","0.0518","0.0528","","","","","","1.036","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549284","10.4361","0.001","20.2414","0.0018","15.3862","0.0014","90","","91.209","0.003","90","","3249.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","CoTptBuOTf","CoTptBuOTf","","- C26 H44 B Co F3 N6 O4 S -","- C26 H44 B Co F3 N6 O4 S -","- C104 H176 B4 Co4 F12 N24 O16 S4 -","4","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.0337","0.0277","","","0.0648","0.0673","","","","","","1.045","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549285","14.2995","0.0009","16.0821","0.0011","38.551","0.003","95.079","0.002","97.357","0.002","97.863","0.002","8658.9","1.1","100","","100","2","","","","","","","","10","P -1","-P 1","2","","[CoTpAd,MePhIO][BArF4]","","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C338 H336 B8 Cl4 Co4 F96 I4 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1561","0.0887","","","0.161","0.1833","","","","","","1.068","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549286","13.018","0.003","17.299","0.004","19.933","0.004","69.338","0.004","77.588","0.005","78.279","0.005","4062","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","[CoTptBuPhIO2][BArF4]","","- C71 H77 B2 Co F24 I N6 O6 S -","- C71 H77 B2 Co F24 I N6 O6 S -","- C142 H154 B4 Co2 F48 I2 N12 O12 S2 -","2","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.41328","synchrotron","","0.067","0.0624","","","0.1946","0.199","","","","","","1.022","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549287","21.493","0.0017","22.3378","0.0019","38.715","0.003","90","","90","","90","","18587","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C93 H100 B2 Co F27 N8 O4 S -","- C93 H100 B2 Co F27 N8 O4 S -","- C744 H800 B16 Co8 F216 N64 O32 S8 -","8","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1568","0.1073","","","0.2609","0.2964","","","","","","1.023","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549288","8.3475","0.00016","10.314","0.0002","21.0732","0.0004","90","","90","","90","","1814.32","0.06","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0326","0.0285","","","0.069","0.0713","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549289","18.1203","0.0005","6.99093","0.00014","19.2375","0.0005","90","","112.45","0.003","90","","2252.27","0.11","99.9","0.2","99.9","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.044","0.039","","","0.0954","0.0989","","","","","","1.001","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549290","11.90924","0.00015","17.5617","0.0002","9.90343","0.00013","90","","101.393","0.0013","90","","2030.45","0.04","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0369","0.0352","","","0.0869","0.0883","","","","","","1.004","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549291","14.1772","0.0003","10.8633","0.0002","14.2137","0.0003","90","","95.1137","0.0016","90","","2180.36","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0482","0.0371","","","0.1066","0.1132","","","","","","1.002","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549292","17.4337","0.0014","6.9903","0.0004","17.935","0.0012","90","","103.64","0.007","90","","2124","0.3","99.99","0.1","99.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.1085","0.0615","","","0.1268","0.1463","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549293","18.2724","0.0017","19.5178","0.0015","18.301","0.002","90","","113.791","0.012","90","","5972.2","1.1","220.03","0.1","220.03","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 -","- C30 H22 -","- C360 H264 -","12","1.5","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.1205","0.0618","","","0.1076","0.1257","","","","","","1","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549294","7.396","0.0002","30.1314","0.0011","18.311","0.0007","90","","91.801","0.003","90","","4078.6","0.2","99.93","0.16","99.93","0.16","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 -","- C29 H24 -","- C232 H192 -","8","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0904","0.0571","","","0.1201","0.1345","","","","","","1.001","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549295","11.9827","0.0013","13.0612","0.0015","14.0684","0.0017","117.413","0.006","92.608","0.006","90.268","0.007","1951.7","0.4","296","2","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","","0.71073","MoKα","","0.0577","0.0501","","","0.1357","0.1427","","","","","","1.031","","","","has coordinates,has disorder","228763","2020-10-21","18:00:00",""
"1549296","14.6013","0.001","16.3421","0.001","18.0401","0.0011","90","","93.323","0.003","90","","4297.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cp""2Th(IV)AlanateChloride","Cp""2Th(IV)AlanateChloride","","- C36 H72 Al Cl Si3 Th -","- C36 H72 Al Cl Si3 Th -","- C144 H288 Al4 Cl4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.029","0.0254","","","0.0561","0.0583","","","","","","1.142","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549297","10.4534","0.0005","12.854","0.0006","17.8476","0.0008","72.09","0.002","79.893","0.002","66.898","0.002","2094.82","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Cp""2U(III)Alanate","Cp""2U(III)Alanate","","- C36 H72 Al Si3 U -","- C36 H72 Al Si3 U -","- C72 H144 Al2 Si6 U2 -","2","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.0204","0.0188","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549298","18.541","0.016","12.528","0.01","18.971","0.016","90","","105.644","0.009","90","","4243","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp""2Th(IV)AlanateHydride","Cp""2Th(IV)AlanateHydride","","- C36 H73 Al Si3 Th -","- C36 H73 Al Si3 Th -","- C144 H292 Al4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.0844","0.0477","","","0.084","0.0945","","","","","","1.034","","","","has coordinates","228824","2020-10-21","18:00:00",""
"1549299","12.933","0.008","12.816","0.008","13.179","0.008","90","","94.46","0.004","90","","2178","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cp""2Th(III)Alanate","Cp""2Th(III)Alanate","","- C36 H72 Al Si3 Th -","- C36 H72 Al Si2.9988 Th -","- C72 H144 Al2 Si5.9976 Th2 -","2","0.5","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.028","0.024","","","0.0571","0.0588","","","","","","1.059","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549300","14.01776","0.00012","11.68842","0.0001","18.61137","0.00019","90","","97.6225","0.0009","90","","3022.44","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 I2 N4 O2 -","- C62 H88 I2 N4 O2 -","- C124 H176 I4 N8 O4 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.026","0.022","","","0.0482","0.0499","","","","","","1.037","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549301","10.4185","0.0005","10.5244","0.0005","25.1966","0.0007","97.968","0.003","90.283","0.003","110.092","0.004","2565.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 N4 -","- C60 H80 N4 -","- C120 H160 N8 -","2","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0881","0.0716","","","0.2049","0.2208","","","","","","1.068","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549302","9.397","0.0003","11.5574","0.0005","15.1108","0.0006","70.87","0.004","84.424","0.003","76.36","0.003","1506.4","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 N4 O -","- C66 H84 N4 -","- C66 H84 N4 -","1","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0563","0.0483","","","0.1243","0.1314","","","","","","1.038","","","","has coordinates,has disorder","228645","2020-10-21","18:00:00",""
"1549303","9.3343","0.0002","17.7848","0.0003","20.1423","0.0004","90","","95.674","0.002","90","","3327.41","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.21 H96.87 Br2 N4 O3.22 -","- C69.218 H96.872 Br2 N4 O3.218 -","- C138.436 H193.744 Br4 N8 O6.436 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.0918","0.0733","","","0.1365","0.143","","","","","","1.173","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549304","7.463","0.0014","23.83","0.005","11.556","0.003","90","","101.301","0.018","90","","2015.3","0.8","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.1707","0.0688","","","0.162","0.2031","","","","","","0.935","","","","has coordinates","228826","2020-10-21","18:00:00",""
"1549305","7.1516","0.0004","8.5555","0.0005","16.6112","0.001","100.052","0.005","95.016","0.005","90.498","0.005","996.63","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C56 H36 N4 O2 -","2","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.085","0.0549","","","0.1342","0.1659","","","","","","1.044","","","","has coordinates","228826","2020-10-21","18:00:00",""
"1549306","30.0936","0.0007","30.0936","0.0007","39.3554","0.0013","90","","90","","90","","35641.2","1.7","190","1","190","1","","","","","","","","6","P 4/n :2","-P 4a","85","","cluster-1","","- C366 H508 Cd24 N24 O178 Tb8 -","- C366 H508 Cd24 N24 O178 Tb8 -","- C732 H1016 Cd48 N48 O356 Tb16 -","2","0.25","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.1763","0.0639","","","0.185","0.2384","","","","","","0.918","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549307","54.777","0.011","61.944","0.012","79.935","0.016","90","","90","","90","","271228","9","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C386 H560 Cd24 N24 O190 Tb8 -","- C386 H560 Cd24 N24 O190 Tb8 -","- C6176 H8960 Cd384 N384 O3040 Tb128 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2569","0.1275","","","0.3051","0.3226","","","","","","1.039","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549308","54.621","0.011","61.479","0.012","100.21","0.02","90","","90","","90","","336510","12","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C6856.16 H10105.6 Cd384 N384 O2732.96 Tb128 -","4","0.125","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2097","0.0959","","","0.2256","0.2463","","","","","","1.084","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549309","42.806","0.006","42.806","0.006","37.886","0.008","90","","90","","90","","69421","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C386 H500 Cd24 N24 O177 Tb8 -","- C386 H500 Cd24 N24 O177 Tb8 -","- C1544 H2000 Cd96 N96 O708 Tb32 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.161","0.0892","","","0.2151","0.2444","","","","","","1.107","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549310","11.5253","0.0008","16.1662","0.0011","16.7311","0.0012","81.943","0.001","88.463","0.001","69.635","0.001","2892.8","0.4","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H103 K Mn O14 -","- C50 H103 K Mn O14 -","- C100 H206 K2 Mn2 O28 -","2","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.0939","0.0489","","","0.0942","0.1088","","","","","","1.004","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549311","11.3584","0.0005","17.2479","0.0008","29.111","0.0013","90","","91.552","0.0009","90","","5701","0.4","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H103 K Mn O13 -","- C50 H103 K Mn O13 -","- C200 H412 K4 Mn4 O52 -","4","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.118","0.083","","","0.2151","0.2413","","","","","","1.043","","","","has coordinates","228741","2020-10-21","18:00:00",""
"1549312","18.3234","0.0012","15.9361","0.001","16.771","0.0011","90","","122.093","0.001","90","","4148.8","0.5","100","2","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H79 K Mn O5 -","- C38 H79 K Mn O5 -","- C152 H316 K4 Mn4 O20 -","4","0.5","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.061","0.0517","","","0.1347","0.144","","","","","","1.031","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549313","14.295","0.008","14.544","0.01","17.347","0.011","100.67","0.03","107.46","0.02","105.51","0.03","3174","4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-bis(phenylethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H46 B F24 Na O9 -","- C62 H46 B F24 Na O9 -","- C124 H92 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0734","0.0524","","","0.1185","0.1311","","","","","","1.029","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549314","19.142","0.004","24.665","0.005","26.029","0.006","90","","90","","90","","12289","5","150","2","149.96","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,9-diphenyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C58 H46 B F24 Na O9 -","- C58 H46 B F24 Na O9 -","- C464 H368 B8 F192 Na8 O72 -","8","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0734","0.0451","","","0.0953","0.1113","","","","","","1.017","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549315","20.158","0.005","17.085","0.005","20.698","0.006","90","","101.158","0.014","90","","6994","3","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,9-dibenzyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H52 B F30 Na O9 -","- C62 H52 B F30 Na O9 -","- C248 H208 B4 F120 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0998","0.0752","","","0.2112","0.2342","","","","","","1.036","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549316","13.9002","0.0003","14.0497","0.0003","21.1609","0.0005","101.417","0.0019","103.6","0.002","101.486","0.002","3804.07","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","1,9-bis((trimethylsilyl)ethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C65 H75 B F24 Na O9 Si2 -","- C65 H75 B F24 Na O9 Si2 -","- C130 H150 B2 F48 Na2 O18 Si4 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.1137","0.0704","","","0.1618","0.1836","","","","","","1.043","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549317","12.8768","0.0003","17.6754","0.0004","22.1097","0.0005","90","","90","","90","","5032.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Li O9 -","- C46 H38 B F24 Li O9 -","- C184 H152 B4 F96 Li4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.057","0.0411","","","0.085","0.0929","","","","","","1.038","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549318","16.654","0.008","18.497","0.008","20.536","0.009","70.108","0.016","83.341","0.017","89.951","0.013","5903","5","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","(1,9-diethynyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C204 H156 B4 Cl12 F96 Na4 O36 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0783","0.0632","","","0.1442","0.1547","","","","","","1.053","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549319","13.0127","0.0004","19.6275","0.0007","25.4722","0.0008","90","","96.246","0.003","90","","6467.2","0.4","150","0.14","150","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,9-bis(chloromethyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C50 H41.87 B Cl8 F24 Na O9 -","- C49.9999 H41.8749 B Cl8.0027 F24 Na O9 -","- C200 H167.5 B4 Cl32.0108 F96 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0975","0.0629","","","0.1451","0.1671","","","","","","1.015","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549320","12.434","0.004","12.984","0.005","20.025","0.007","93.798","0.013","107.54","0.012","104.457","0.008","2949.7","1.8","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-dibutyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C54 H54 B F24 Na O9 -","- C54 H54 B F24 Na O9 -","- C108 H108 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.061","0.0492","","","0.1186","0.1261","","","","","","1.045","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549332","18.3209","0.0005","12.3996","0.0003","12.1068","0.0003","90","","98.766","0.001","90","","2718.2","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br2 Cl3 N O -","- C8 H12 Br2 Cl3 N O -","- C64 H96 Br16 Cl24 N8 O8 -","8","1","","Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A.","β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer.","Chemical science","2018","9","19","4500","4504","10.1039/c8sc01214h","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","0.0392","0.0404","","","","","","1.074","","","","has coordinates","228746","2020-10-21","18:00:00",""
"1549333","12.799","0.002","13.808","0.002","13.844","0.002","64.938","0.004","70.414","0.004","66.334","0.004","1989.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 B N2 O -","- C48 H57 B N2 O -","- C96 H114 B2 N4 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0884","0.0538","","","0.1229","0.1391","","","","","","1.025","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549334","9.499","0.004","22.755","0.007","19.041","0.006","90","","91.58","0.03","90","","4114","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 B2 N2 O -","- C43 H68 B2 N2 O -","- C172 H272 B8 N8 O4 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0551","0.0407","","","0.1026","0.1128","","","","","","1.029","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549335","26.74","0.01","9.4128","0.0011","30.763","0.012","90","","100.73","0.03","90","","7608","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H52 B Cl N2 -","- C45 H52 B Cl N2 -","- C360 H416 B8 Cl8 N16 -","8","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1392","0.0666","","","0.1223","0.1474","","","","","","1.01","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549336","10.756","0.011","12.715","0.012","18.183","0.013","81.15","0.05","87.75","0.03","68.37","0.04","2284","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H72 B2 N4 O -","- C51.5 H72 B2 N4 O -","- C103 H144 B4 N8 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1248","0.0616","","","0.1359","0.1617","","","","","","1.016","","","","has coordinates,has disorder","228630","2020-10-21","18:00:00",""
"1549337","12.303","0.005","12.532","0.003","24.192","0.017","90","","100.95","0.04","90","","3662","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 B N2 -","- C45 H51 B N2 -","- C180 H204 B4 N8 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1478","0.0647","","","0.1169","0.1431","","","","","","0.994","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549338","6.612","0.0006","7.8997","0.0007","15.4119","0.0013","90","","92.455","0.003","90","","804.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 O2 S -","- C19 H21 O2 S -","- C38 H42 O4 S2 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.084","0.0824","","","0.2256","0.2279","","","","","","1.044","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549339","12.5495","0.0006","6.3424","0.0003","13.2506","0.0006","90","","92.671","0.002","90","","1053.52","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 B O4 -","- C24 H27 B O4 -","- C48 H54 B2 O8 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.0267","0.026","","","0.0676","0.0682","","","","","","1.057","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549367","14.361","0.003","9.517","0.0019","15.449","0.003","90","","99.257","0.003","90","","2084","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(TAP)Co","","- C54 H42 Co N4 O4 -","- C54 H42 Co N4 O4 -","- C108 H84 Co2 N8 O8 -","2","0.5","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0493","0.0459","","","0.1042","0.1062","","","","","","1.128","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549368","21.495","0.002","13.598","0.003","16.434","0.004","90","","90","","90","","4803.5","1.6","173.15","","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","(TAP)Co-(1-(p-fluorophenyl)vinyl)","","- C62 H48 Co F N4 O4 -","- C62 H48 Co F N4 O4 -","- C248 H192 Co4 F4 N16 O16 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0626","0.0581","","","0.161","0.1663","","","","","","1.093","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549369","17.25","0.005","13.082","0.003","32.044","0.009","90","","96.735","0.004","90","","7181","3","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(TPFC)Sn-Co(TAP)","","- C85 H44 Co F15 N8 O4 Sn -","- C85 H44 Co F15 N8 O4 Sn -","- C340 H176 Co4 F60 N32 O16 Sn4 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1103","0.094","","","0.202","0.2127","","","","","","1.173","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549370","12.8962","0.0018","15.333","0.002","21.248","0.003","101.533","0.002","90.07","0.002","106.286","0.002","3944.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(TPFC)Sn-O-Sn(TPFC)","","- C74 H16 F30 N8 O Sn2 -","- C74 H16 F30 N8 O Sn2 -","- C148 H32 F60 N16 O2 Sn4 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0606","0.0557","","","0.1298","0.1333","","","","","","1.089","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549371","15.523","0.004","16.499","0.002","20.024","0.002","93.436","0.01","111.524","0.01","102.953","0.011","4591.9","1.5","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","(TPFC)Sn-(p-MeO-phenylacetylene)-Co(TAP)","","- C94 H52 Co F15 N8 O5 Sn -","- C94 H52 Co F15 N8 O5 Sn -","- C188 H104 Co2 F30 N16 O10 Sn2 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1385","0.1133","","","0.2258","0.2423","","","","","","1.173","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549373","7.0231","0.0008","17.534","0.002","14.6817","0.0019","90","","90","","90","","1807.9","0.4","152","2","152","2","","","","","","","Pyxidicoccus fallax","4","P c a 21","P 2c -2ac","29","","Pyxidicycline A","","- C22 H17 N O9 -","- C22 H17 N O9 -","- C88 H68 N4 O36 -","4","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.0653","0.0452","","","0.1135","0.1236","","","","","","1.054","","","","has coordinates","228835","2020-10-21","18:00:00",""
"1549374","7.0902","0.0012","7.9097","0.0015","17.33","0.003","89.561","0.013","84.797","0.011","74.655","0.012","933.2","0.3","172","2","172","2","","","","","","","Pyxidicoccus fallax","4","P -1","-P 1","2","","Pyxidicycline B","","- C22 H17 N O9 -","- C22 H15 N O9 -","- C44 H30 N2 O18 -","2","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.2936","0.1357","","","0.3337","0.3784","","","","","","1.614","","","","has coordinates,has disorder","228835","2020-10-21","18:00:00",""
"1549375","14.6864","0.0004","15.1284","0.0005","29.6362","0.0007","90","","99.037","0.001","90","","6502.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H33 Cl Ir N6 S2 -","- C54 H33 Cl Ir N6 S2 -","- C216 H132 Cl4 Ir4 N24 S8 -","4","1","","Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui","Oncosis-inducing cyclometalated iridium(iii) complexes.","Chemical science","2018","9","23","5183","5190","10.1039/c8sc01142g","","","0.71073","MoKα","","0.0653","0.0533","","","0.1492","0.1663","","","","","","1.055","","","","has coordinates,has disorder","228828","2020-10-21","18:00:00",""
"1549376","16.963","0.003","16.963","0.003","11.4256","0.0018","90","","90","","120","","2847.2","0.8","93","","93","","","","","","","","","7","P 61","P 61","169","","","","- C19 H13 Br F3 N O3 S -","- C19 H11 Br F3 N O3 S -","- C114 H66 Br6 F18 N6 O18 S6 -","6","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","0.71075","MoKα","","0.0435","0.0382","","","0.097","0.0988","","","","","","1.022","","","","has coordinates","228831","2020-10-21","18:00:00",""
"1549382","11.6959","0.0003","16.06","0.0004","11.9522","0.0003","90","","91.981","0.001","90","","2243.71","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O3 S Si -","- C21 H29 N O3 S Si -","- C84 H116 N4 O12 S4 Si4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0438","0.0428","","","0.1095","0.1106","","","","","","1.106","","","","has coordinates","228651","2020-10-21","18:00:00",""
"1549383","10.5498","0.0005","19.255","0.0009","10.4914","0.0005","90","","105.495","0.002","90","","2053.72","0.17","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3-Bpin-5-F-2-Me-1-SO2Ph indoline","","- C21 H25 B F N O4 S -","- C21 H25 B F N O4 S -","- C84 H100 B4 F4 N4 O16 S4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0494","0.0435","","","0.1123","0.1172","","","","","","1.07","","","","has coordinates","228651","2020-10-21","18:00:00",""
"1549384","11.4322","0.0011","12.2773","0.0011","12.5149","0.0012","103.535","0.002","107.265","0.002","110.653","0.002","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","x-ray","0.41328","Synchrotron","","0.0391","0.0337","","","0.0881","0.0905","","","","","","1.078","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549385","11.408","0.002","12.249","0.002","12.519","0.002","103.477","0.0018","107.088","0.0017","110.797","0.0017","1447.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0303","0.028","","","0.0691","0.0714","","","","","","1.044","","","","has coordinates","228834","2020-10-21","18:00:00",""
"1549386","11.5228","0.0008","12.2661","0.0008","12.5357","0.0008","103.595","0.002","106.954","0.002","111.073","0.002","1462.29","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Li2 Mg1.07 Ni0.93 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0406","0.0318","","","0.0654","0.0688","","","","","","1.094","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549387","11.5502","0.0008","12.2971","0.0009","12.5192","0.0009","103.554","0.002","107.079","0.002","110.959","0.002","1468.06","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co1.06 Li2 Mg0.94 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0516","0.0383","","","0.0749","0.081","","","","","","1.093","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549388","14.5653","0.0002","25.3532","0.0005","31.1528","0.0004","90","","91.249","0.001","90","","11501.3","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","2","","- C113 H184 O6 Si8 Ti4 -","- C113 H184 O6 Si8 Ti4 -","- C452 H736 O24 Si32 Ti16 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","1.54184","CuKα","","0.1441","0.1285","","","0.3566","0.3833","","","","","","0.942","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549389","12.9536","0.0005","22.7968","0.0009","18.9201","0.0008","90","","92.537","0.004","90","","5581.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","3","","- C55 H92 O2 Si4 Ti2 -","- C54.968 H91.904 O2 Si4 Ti2 -","- C219.872 H367.616 O8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","0.71075","MoKα","","0.1407","0.0836","","","0.214","0.2501","","","","","","1.033","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549391","10.683","0.002","11.322","0.002","11.736","0.002","67.493","0.009","86.541","0.01","76.417","0.01","1274","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","1","0.5","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0593","0.0613","","","","","","1.055","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549392","19.6962","0.0007","19.6962","0.0007","29.9535","0.0013","90","","90","","90","","11620.2","0.8","299.43","","299.43","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H148 Cl42 O76 U38 -","- C60 H148 Cl42 O76 U38 -","- C120 H296 Cl84 O152 U76 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","","0.71073","MoKα","","0.1188","0.0409","","","0.0749","0.0942","","","","","","1.017","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549398","23.057","0.002","13.6098","0.0012","23.378","0.002","90","","110.977","0.002","90","","6849.8","1","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H84 Co I3 N6 O6 S6 -","- C54 H84 Co I3 N6 O6 S6 -","- C216 H336 Co4 I12 N24 O24 S24 -","4","2","","Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.","The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents.","Chemical science","2018","9","22","5087","5099","10.1039/c8sc01510d","","x-ray","0.71073","MoKα","","0.0985","0.0813","","","0.1382","0.1497","","","","","","1.221","","","","has coordinates,has disorder","228648","2020-10-21","18:00:00",""
"1549399","13.2526","0.0017","8.5485","0.0011","23.163","0.003","90","","97.46","0.003","90","","2601.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O3 S -","- C30 H30 N2 O3 S -","- C120 H120 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0692","0.0488","","","0.1283","0.1424","","","","","","1.028","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549400","9.5994","0.0004","14.7775","0.0006","19.9833","0.001","90","","90","","90","","2834.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O3 S -","- C33 H32 N2 O3 S -","- C132 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0781","0.0498","","","0.1071","0.1246","","","","","","1.045","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549401","14.6758","0.0017","8.1119","0.001","22.258","0.003","90","","97.042","0.003","90","","2629.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0735","0.0517","","","0.1274","0.1402","","","","","","1.029","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549403","29.697","0.004","33.356","0.005","5.4539","0.0008","90","","90","","90","","5402.5","1.3","170","","170","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H32 N6 O5 -","- C32 H32 N6 O5 -","- C256 H256 N48 O40 -","8","0.5","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.0556","0.0401","","","0.0857","0.092","","","","","","1.006","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549404","12.646","0.002","8.4619","0.0016","17.452","0.003","90","","90.459","0.005","90","","1867.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C88 H80 N16 O8 -","4","2","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.1385","0.0607","","","0.1164","0.1516","","","","","","0.966","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549405","7.731","0.0003","8.2071","0.0003","11.5044","0.0004","90","","107.779","0.0011","90","","695.08","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0691","0.0692","","","","","","1.053","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549406","14.4518","0.0005","15.8358","0.0005","14.1208","0.0004","90","","93.946","0.001","90","","3223.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N3 O4 -","- C34 H51 N3 O4 -","- C136 H204 N12 O16 -","4","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0343","0.0334","","","0.0835","0.0843","","","","","","1.047","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549407","5.0463","0.0003","10.357","0.0005","13.2269","0.0007","90","","92.007","0.002","90","","690.87","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C32 H28 Cl2 N2 O4 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0231","0.023","","","0.0634","0.0635","","","","","","1.065","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549408","12.7206","0.0003","36.0918","0.0007","22.8341","0.0004","90","","90","","90","","10483.3","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C112 H88 Co N8 O8 -","- C112 H88 Co N8 O8 -","- C448 H352 Co4 N32 O32 -","4","0.5","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0432","0.0359","","","0.0826","0.0854","","","","","","0.969","","","","has coordinates,has disorder","228653","2020-10-21","18:00:00",""
"1549409","14.8145","0.0002","12.6491","0.0002","11.5796","0.0002","90","","106.709","","90","","2078.28","0.06","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0284","","","","0.0739","","","","","","1.061","","","","has coordinates","228652","2020-10-21","18:00:00",""
"1549410","12.592","0.0011","7.7321","0.0007","21.336","0.003","90","","96.291","0.007","90","","2064.8","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0302","","","","0.0772","","","","","","0.979","","","","has coordinates","228652","2020-10-21","18:00:00",""
"1549411","7.6263","0.0006","16.9562","0.0013","10.843","0.0009","90","","92.648","0.004","90","","1400.64","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C","","","- C13 H12 Cl F6 N O -","- C13 H12 Cl F6 N O -","- C52 H48 Cl4 F24 N4 O4 -","4","1","","Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J.","Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals.","Chemical science","2018","9","24","5360","5365","10.1039/c8sc01756e","","","0.71073","MoKα","","0.0385","0.0312","","","0.084","0.0887","","","","","","1.028","","","","has coordinates","228633","2020-10-21","18:00:00",""
"1549414","9.1247","0.0008","11.1474","0.0011","11.9275","0.0012","90","","90.442","0.003","90","","1213.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H12 B Br F3 N -","- C11 H12 B Br F3 N -","- C44 H48 B4 Br4 F12 N4 -","4","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0384","0.0389","","","","","","0.908","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549415","6.1042","0.0002","37.0556","0.001","7.9394","0.0002","90","","93.529","0.003","90","","1792.45","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F4 N -","- C8 H8 B F4 N -","- C64 H64 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1939","0.198","","","","","","1.094","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549416","8.4831","0.0001","8.7906","0.0001","17.8568","0.0002","90","","90","","90","","1331.61","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 B F4 N -","- C13 H18 B F4 N -","- C52 H72 B4 F16 N4 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0813","0.082","","","","","","1.1","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549417","9.1554","0.0001","14.8171","0.0001","24.131","0.0002","90","","93.931","0.001","90","","3265.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H39 B2 F8 N2 O0.5 -","- C35.5 H39 B2 F8 N2 O0.5 -","- C142 H156 B8 F32 N8 O2 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0537","0.0453","","","0.1196","0.125","","","","","","1.036","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549418","10.8597","0.0001","11.1368","0.0001","19.408","0.0002","90","","90","","90","","2347.25","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F4 N -","- C11 H14 B F4 N -","- C88 H112 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0318","0.0304","","","0.0743","0.0753","","","","","","1.042","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549419","12.987","0.01","23.653","0.017","7.519","0.005","90","","90","","90","","2310","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Na2Ga2GeSSe5","Na2Ga2GeSSe5","","- Ga2 Ge Na2 S Se5 -","- Ga2 Ge Na2 S Se5 -","- Ga16 Ge8 Na16 S8 Se40 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0389","0.0376","","","0.0995","0.1013","","","","","","1.056","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549420","12.985","0.004","23.88","0.008","7.585","0.003","90","","90","","90","","2352","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2GeSe6","","- Ga2 Ge Na2 Se6 -","- Ga2 Ge Na2 Se6 -","- Ga16 Ge8 Na16 Se48 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0318","0.0272","","","0.0567","0.0576","","","","","","1.134","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549421","13.329","0.003","24.291","0.007","7.621","0.002","90","","90","","90","","2467.5","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2SnSe6","","- Ga2 Na2 Se6 Sn -","- Ga2 Na2 Se6 Sn -","- Ga16 Na16 Se48 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0321","0.0312","","","0.0842","0.0844","","","","","","1.695","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549422","13.264","0.004","23.936","0.007","7.514","0.002","90","","90","","90","","2385.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Na2Ga2SnSSe5","","- Ga2 Na2 S Se5 Sn -","- Ga2 Na2 S Se5 Sn -","- Ga16 Na16 S8 Se40 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0352","0.0338","","","0.0887","0.0892","","","","","","1.504","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549423","20.8091","0.001","20.8091","0.001","6.5883","0.0004","90","","90","","120","","2470.6","0.2","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0824","0.0726","","","0.1768","0.1849","","","","","","1.039","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549424","20.7637","0.0003","20.7637","0.0003","6.5915","0.0001","90","","90","","120","","2461.07","0.06","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0694","0.0631","","","0.1502","0.1538","","","","","","1.117","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549425","8.8976","0.0003","9.7399","0.0003","15.4155","0.0005","93.972","0.001","99.602","0.001","107.215","0.001","1248.19","0.07","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C26 H40 N2 O6 -","- C26 H40 N2 O6 -","- C52 H80 N4 O12 -","2","2","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","","1.54178","CuKα","","0.0342","0.034","","","0.0939","0.0941","","","","","","1.03","","","","has coordinates","228827","2020-10-21","18:00:00",""
"1549426","10.7657","0.0007","11.9402","0.0007","12.6973","0.0007","65.614","0.003","84.355","0.003","71.603","0.004","1409.62","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 Cl O -","- C40 H27 Cl O -","- C80 H54 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54178","CuKα","","0.1307","0.1049","","","0.3586","0.3667","","","","","","1.435","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549427","10.7377","0.0004","7.2096","0.0003","30.6438","0.001","90","","97.73","0.003","90","","2350.72","0.15","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O -","- C36 H24 O -","- C144 H96 O4 -","4","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.0739","0.0475","","","0.114","0.1294","","","","","","1.012","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549428","7.3515","0.0007","11.2839","0.0011","19.4024","0.0019","74.348","0.009","87.386","0.008","73.241","0.008","1483.1","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H28 Cl O -","- C42 H28 Cl O -","- C84 H56 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.1661","0.0854","","","0.212","0.273","","","","","","1.002","","","","has coordinates,has disorder","228647","2020-10-21","18:00:00",""
"1549430","7.628","0.0005","10.6903","0.0008","12.8641","0.0007","83.21","0.006","88.683","0.005","73.76","0.007","1000.03","0.12","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 B11 Br6 Si -","- C4 H15 B11 Br6 Si -","- C8 H30 B22 Br12 Si2 -","2","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.1348","0.1","","","0.2298","0.2554","","","","","","1.122","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549431","18.5845","0.0004","14.7047","0.0002","19.673","0.0003","90","","90","","90","","5376.23","0.16","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 B11 Br6 Si -","- C14 H19 B11 Br6 Si -","- C112 H152 B88 Br48 Si8 -","8","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0519","0.0368","","","0.0808","0.0881","","","","","","1.084","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549432","10.26054","0.00014","38.4104","0.0006","8.64061","0.00013","90","","100.552","0.0014","90","","3347.78","0.09","150","2","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 B11 Br6 Cl2 Si -","- C19 H29 B11 Br6 Cl2 Si -","- C76 H116 B44 Br24 Cl8 Si4 -","4","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0525","0.0517","","","0.1337","0.1345","","","","","","1.098","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549433","25.6568","0.0011","9.9841","0.0003","9.988","0.0004","90","","95.639","0.004","90","","2546.15","0.17","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H12.5 Cl1.5 I N O -","- C8.5 H12.5 Cl1.5 I N O -","- C68 H100 Cl12 I8 N8 O8 -","8","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.5418","CuKα","","0.0428","0.0399","","0.1106","0.1071","0.1106","","","","","","0.9969","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549434","7.0213","0.0003","11.7894","0.0005","12.2156","0.0005","72.797","0.004","86.293","0.004","89.879","0.003","963.76","0.07","150","","150","","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C8 H12 Br N O2 -","- C8 H12 Br N O2 -","- C32 H48 Br4 N4 O8 -","4","2","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0378","0.0328","","0.0875","0.0824","0.0875","","","","","","1.008","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549435","14.727","0.0003","5.7756","0.0001","21.9219","0.0005","90","","92.4149","0.0018","90","","1862.96","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0408","0.0377","","0.0984","0.0948","0.0984","","","","","","0.9976","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549436","12.8692","0.0002","8.4534","0.0001","11.4743","0.0002","90","","99.0055","0.0015","90","","1232.88","0.03","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 I N O2 -","- C12 H12 I N O2 -","- C48 H48 I4 N4 O8 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0278","0.0274","","0.076","0.0756","0.076","","","","","","1.0008","","","","has coordinates","228830","2020-10-21","18:00:00",""
"1549437","5.602","0.0003","8.9978","0.0005","13.3874","0.0009","95.953","0.005","98.695","0.005","98.785","0.005","653.64","0.07","200","","200","","","","","","","","synthetic","4","P -1","-P 1","2","","","","- C13 H12 F3 I -","- C13 H12 F3 I -","- C26 H24 F6 I2 -","2","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0388","0.0358","","0.0992","0.0947","0.099","","","","","","0.9928","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549438","8.6189","0.0002","8.0477","0.0002","8.6853","0.0001","90","","101.24","0.002","90","","590.88","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Blue light-promoted photolysis of aryldiazoacetates.","Chemical science","2018","9","22","5112","5118","10.1039/c8sc01165f","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0716","0.0719","","","","","","1.106","","","","has coordinates","228642","2020-10-21","18:00:00",""
"1549450","19.835","0.0005","19.835","0.0005","29.0373","0.0008","90","","90","","120","","9893.5","0.4","173","","173","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Co N7 O9 -","- C12 H24 Co N7 O9 -","- C216 H432 Co18 N126 O162 -","18","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0515","0.0495","","0.1408","0.1386","0.1408","","","","","","1.008","","","","has coordinates,has disorder","228643","2020-10-21","18:00:00",""
"1549451","9.9394","0.0004","9.5494","0.0004","21.4604","0.0009","90","","90.9342","0.0013","90","","2036.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Br3 Co N5 -","- C14 H27 Br3 Co N5 -","- C56 H108 Br12 Co4 N20 -","4","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0341","0.0247","","0.0616","0.0584","0.0616","","","","","","1.0003","","","","has coordinates","228643","2020-10-21","18:00:00",""
"1549452","8.8034","0.0005","9.6631","0.0006","10.5046","0.0006","102.117","0.001","107.299","0.001","102.283","0.001","797.12","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","A-1F0","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0609","0.0466","","","0.1223","0.1328","","","","","","1.033","","","","has coordinates","228629","2020-10-21","18:00:00",""
"1549453","7.6139","0.0006","10.1143","0.0008","12.847","0.001","95.814","0.002","92.348","0.002","93.463","0.002","981.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-2","","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0746","0.0538","","","0.1443","0.1567","","","","","","1.047","","","","has coordinates","228629","2020-10-21","18:00:00",""
"1549454","22.741","","7.648","","35.273","","90","","96.81","","90","","6091.51","","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","A-8","","- C70 H82 F10 N2 O4 -","- C70 H82 F10 N2 O4 -","- C280 H328 F40 N8 O16 -","4","1","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54184","CuKα","","0.1071","0.0901","","","0.1722","0.1794","","","","","","1.159","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549455","12.392","0.0007","17.6527","0.0009","18.8864","0.001","95.161","0.003","103.759","0.003","106.881","0.003","3783.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-4","","- C54 H50 F4 N10 O2 -","- C40.5 H19.5 F7.5 N1.5 O3 -","- C162 H78 F30 N6 O12 -","4","2","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54178","CuKα","","0.3115","0.2346","","","0.5424","0.5936","","","","","","3.541","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549456","13.7644","0.0001","24.8987","0.0002","35.6022","0.0002","90","","90","","90","","12201.4","0.15","173.01","0.1","173.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C132 H112 Au6 B2 F8 N2 O P6 -","- C132 H112 Au6 B2 F8 N2 O P6 -","- C528 H448 Au24 B8 F32 N8 O4 P24 -","4","1","","Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang","Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters.","Chemical science","2018","9","25","5614","5622","10.1039/c8sc00344k","","","1.54184","CuKα","","0.0629","0.0617","","","0.1598","0.1607","","","","","","1.064","","","","has coordinates,has disorder","228758","2020-10-21","18:00:00",""
"1549457","5.5798","0.0004","26.592","0.002","8.0005","0.0006","90","","108.656","0.0009","90","","1124.72","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0448","0.0403","","","0.1067","0.1106","","","","","","1.017","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549458","16.348","0.008","6.781","0.003","10.091","0.005","90","","100.02","0.006","90","","1101.6","0.9","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0837","0.0711","","","0.1837","0.1989","","","","","","1.015","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549459","10.7209","0.0005","13.1604","0.0006","8.2158","0.0004","90","","105.789","0.0005","90","","1115.44","0.09","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0539","0.047","","","0.125","0.1306","","","","","","1.044","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549460","14.4406","0.0013","9.5463","0.0009","10.3489","0.0009","90","","98.2686","0.0011","90","","1411.8","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0403","","","0.1067","0.112","","","","","","1.041","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549461","6.5568","0.0004","15.0022","0.001","11.4025","0.0007","90","","97.5881","0.0008","90","","1111.8","0.12","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.044","0.0396","","","0.1009","0.105","","","","","","1.046","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549462","9.7545","0.0005","9.4518","0.0005","15.7484","0.0009","90","","103.855","0.001","90","","1409.72","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0497","0.0462","","","0.1203","0.1239","","","","","","1.05","","","","has coordinates,has disorder","228632","2020-10-21","18:00:00",""
"1549463","6.8954","0.0006","8.3622","0.0008","12.1458","0.0011","106.492","0.0011","92.7147","0.0011","108.899","0.001","627.79","0.1","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0393","","","0.0908","0.0954","","","","","","1.012","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549464","10.3761","0.0013","10.82","0.0014","10.8988","0.0014","90","","90","","90","","1223.6","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0369","0.0329","","","0.0802","0.0827","","","","","","1.035","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549469","44.7776","0.0058","44.7776","0.0058","7.6581","0.0039","90","","90","","90","","15355","8","298","","298","","","","1013","","","","","6","I 41 c d","I 4bw -2c","110","","","Zr-CAU-30","- C44 N4 Ni O22 P4 Zr2 -","- C44 N4 Ni O21.052 P4 Zr2 -","- C352 N32 Ni8 O168.416 P32 Zr16 -","8","0.5","","Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick; Döblinger, Markus; Bueken, Bart; Reinsch, Helge; De Vos, Dirk; Wuttke, Stefan; Kolb, Ute; Stock, Norbert","Highly stable and porous porphyrin-based zirconium and hafnium phosphonates - electron crystallography as an important tool for structure elucidation.","Chemical science","2018","9","24","5467","5478","10.1039/c8sc01533c","","x-ray","1.54059","CuKα1","","","","","","","","","","","","","","","","","has coordinates","228631","2020-10-21","18:00:00",""
"1549471","11.785","0.003","19.051","0.005","19.029","0.005","90","","93.29","0.004","90","","4265.3","1.9","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B2 -","- C56 H56 B2 -","- C224 H224 B8 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.1521","0.0727","","","0.123","0.154","","","","","","1.01","","","","has coordinates","228624","2020-10-21","18:00:00",""
"1549472","18.849","0.003","11.5959","0.0016","20.422","0.003","90","","106.914","0.0018","90","","4270.6","1.1","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 B2 N2 -","- C48 H54 B2 N2 -","- C192 H216 B8 N8 -","4","0.5","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0567","0.0512","","","0.1412","0.1471","","","","","","1.042","","","","has coordinates","228624","2020-10-21","18:00:00",""
"1549473","21.407","0.003","13.6932","0.0018","23.988","0.003","90","","92.4764","0.0014","90","","7025","1.6","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C79 H83 B2 Cl4 K N O6 -","- C79 H83 B2 Cl4 K N O6 -","- C316 H332 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0538","0.0452","","","0.1119","0.1181","","","","","","1.023","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549474","15.4096","0.0014","23.693","0.002","19.0628","0.0017","90","","112.948","0.0011","90","","6409","1","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H78 B2 Cl4 K N O6 -","- C71 H78 B2 Cl4 K N O6 -","- C284 H312 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0805","0.0543","","","0.1549","0.1724","","","","","","1.074","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549475","12.8924","0.0006","13.4295","0.0006","13.7975","0.0006","110.488","0.004","112.313","0.004","100.712","0.004","1925.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[(Mes-BDIAl)HPd(PCy3)]2","","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","1","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","","0.71073","MoKα","","0.0434","0.035","","","0.0736","0.0775","","","","","","1.046","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549476","12.086","0.0004","22.1931","0.0007","12.9055","0.0004","90","","106.077","0.004","90","","3326.2","0.2","173","2","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipp-BDIAlH(o-tol)","","- C36 H48.9 Al Cl0.1 N2 -","- C36 H48.9 Al Cl0.1 N2 -","- C144 H195.6 Al4 Cl0.4 N8 -","4","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.087","0.0589","","","0.1387","0.154","","","","","","1.099","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549477","16.6858","0.0014","20.95","0.002","9.0089","0.0009","90","","90","","90","","3149.2","0.5","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipp-BDIAlH(Ph)","","- C35 H47 Al N2 -","- C35 H47 Al N2 -","- C140 H188 Al4 N8 -","4","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.0844","0.0479","","","0.1258","0.1371","","","","","","0.699","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549478","13.2046","0.0008","14.1589","0.0011","23.4405","0.0011","94.72","0.005","98.247","0.004","108.643","0.006","4071.1","0.5","173","2","173","0.14","","","","","","","","6","P -1","-P 1","2","","[Pd(PCy3)(Dipp-BDIAl)2]","","- C85 H136 Al2 N4 P Pd -","- C85 H136 Al2 N4 P Pd -","- C170 H272 Al4 N8 P2 Pd2 -","2","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.1093","0.0679","","","0.1424","0.1662","","","","","","1.044","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549481","7.2613","0.0002","7.6635","0.0003","13.5746","0.0005","95.988","0.003","98.931","0.003","90.085","0.003","742.04","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0267","0.0258","","","0.0684","0.069","","","","","","1.014","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549482","7.0836","0.0003","15.1242","0.0006","13.5688","0.0006","96.424","0.004","97.878","0.004","90.09","0.004","1430.7","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C52 H32 Fe2 N24 O4 Pd2 -","2","1","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0388","0.0331","","","0.0941","0.0993","","","","","","1.057","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549483","7.2772","0.0001","7.6432","0.0001","13.5928","0.0003","95.997","0.002","98.598","0.002","90.08","0.002","743.35","0.02","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pt(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0562","0.056","","","0.1544","0.1545","","","","","","1.083","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549484","10.302","0.004","10.479","0.004","12.612","0.004","72.875","0.006","70.7","0.006","76.245","0.006","1213.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Br Co N3 O4 -","- C24 H31 Br Co N3 O4 -","- C48 H62 Br2 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.0892","0.0663","","","0.182","0.1998","","","","","","1.054","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549485","11.724","0.019","14","0.02","15.95","0.03","66.86","0.02","76.56","0.03","68.44","0.03","2227","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co N6 O14 -","- C40 H34 Co N6 O14 -","- C80 H68 Co2 N12 O28 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.3224","0.1186","","","0.2708","0.379","","","","","","0.946","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549486","11.416","0.003","13.616","0.004","13.991","0.003","73.027","0.005","70.324","0.004","69.364","0.005","1879","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Co N3 O6 -","- C26 H25 Co N3 O4 -","- C52 H50 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.1068","0.0695","","","0.2061","0.2231","","","","","","1.198","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549487","11.93","0.009","14.213","0.011","17.277","0.013","98.862","0.012","101.804","0.013","112.978","0.012","2550","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Co N3 O11 -","- C46 H44 Co N3 O11 -","- C92 H88 Co2 N6 O22 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.2032","0.1128","","","0.3113","0.3833","","","","","","1.074","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549490","12.4209","0.0005","13.6925","0.0005","15.889","0.0006","81.806","0.003","74.263","0.003","87.206","0.003","2574.3","0.18","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H24 Cl8 N6 -","- C56 H24 Cl8 N6 -","- C112 H48 Cl16 N12 -","2","1","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","x-ray","1.54184","CuKα","","0.0517","0.0442","","","0.1151","0.1203","","","","","","1.022","","","","has coordinates","228662","2020-10-21","18:00:00",""
"1549492","13.85","0.003","15.15","0.003","17.46","0.003","73.28","0.03","78.26","0.03","77.43","0.03","3385.5","1.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 Cl2 O6 -","- C76 H62 O6 -","- C152 H124 O12 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","","0.71073","MoKα","","0.0976","0.0755","","","0.2271","0.2456","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549493","10.1039","0.0004","14.5087","0.0009","15.0844","0.0008","65.241","0.005","89.939","0.004","69.932","0.005","1859.5","0.2","99.97","0.1","99.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H46 N2 -","- C50 H46 N2 -","- C100 H92 N4 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","x-ray","1.54178","CuKα","","0.0463","0.0379","","","0.1066","0.1143","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549497","21.3348","0.0009","5.9392","0.0002","23.3779","0.001","90","","102.485","0.004","90","","2892.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ONdP(BC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.1587","0.1496","","","0.3314","0.3358","","","","","","1.062","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549498","23.584","0.004","6.0025","0.0007","21.526","0.003","90","","102.573","0.014","90","","2974.2","0.8","272","4","272","4","","","","","","","","5","C 1 c 1","C -2yc","9","","ONdP(GC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.0966","0.0872","","","0.2447","0.2916","","","","","","1.372","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549501","12.2471","0.0003","18.3327","0.0005","17.6262","0.0005","90","","95.002","0.002","90","","3942.41","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C70 H95 Fe2 N17 O23 -","- C70 H95 Fe2 N17 O23 -","- C140 H190 Fe4 N34 O46 -","2","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.067","0.054","","","0.1557","0.166","","","","","","1.035","","","","has coordinates,has disorder","228708","2020-10-21","18:00:00",""
"1549502","11.359","0.0005","11.8525","0.0005","13.7993","0.0006","68.492","0.004","83.722","0.004","66.929","0.004","1588.95","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","1","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","1.54184","CuKα","","0.0528","0.0504","","","0.1494","0.1527","","","","","","1.071","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549503","11.8093","0.0012","19.833","0.002","18.2984","0.0017","90","","93.921","0.003","90","","4275.7","0.7","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Co N11 O11 -","- C38 H51 Co N11 O11 -","- C152 H204 Co4 N44 O44 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0703","0.043","","","0.0955","0.1062","","","","","","1.029","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549504","11.1043","0.0003","17.4254","0.0004","19.3342","0.0004","90","","90","","90","","3741.11","0.15","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N7 O5 Zn -","- C36 H51 N7 O5 Zn -","- C144 H204 N28 O20 Zn4 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0273","0.0244","","","0.0579","0.0588","","","","","","1.072","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549505","11.0981","0.0003","17.442","0.0004","19.3054","0.0004","90","","90","","90","","3737.01","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Fe N7 O5 -","- C36 H51 Fe N7 O5 -","- C144 H204 Fe4 N28 O20 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0263","0.0248","","","0.0592","0.06","","","","","","1.042","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549506","10.2415","0.0004","11.6883","0.0004","18.9061","0.0007","97.1912","0.0011","96.6555","0.0011","104.782","0.0011","2145.12","0.14","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Mn N9 O11 -","- C34 H45 Mn N9 O11 -","- C68 H90 Mn2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0469","0.0371","","","0.0941","0.0995","","","","","","1.023","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549507","10.1375","0.0008","11.6574","0.0009","19.0003","0.0015","97.688","0.002","96.622","0.002","103.818","0.002","2135.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N10 O12 Zn -","- C38 H54 N10 O12 Zn -","- C76 H108 N20 O24 Zn2 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0523","0.0498","","","0.1302","0.1318","","","","","","1.053","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549508","10.2617","0.0002","11.3806","0.0002","19.5188","0.0004","105.524","0.002","98.363","0.002","94.721","0.002","2155.33","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 Co N10 O5 -","- C39 H48 Co N10 O5 -","- C78 H96 Co2 N20 O10 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0334","0.0297","","","0.078","0.0797","","","","","","1.055","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549509","10.2009","0.0003","11.6975","0.0003","18.9343","0.0005","97.4707","0.0009","96.4933","0.0009","104.418","0.0009","2144.57","0.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Fe N9 O11 -","- C34 H45 Fe N9 O11 -","- C68 H90 Fe2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0531","0.0374","","","0.0875","0.0933","","","","","","1.028","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549510","9.2297","0.0004","10.6903","0.0004","27.8883","0.0012","90","","91.6399","0.0018","90","","2750.6","0.2","123","","123","","","","","","","","R. Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0405","0.0361","","0.0785","0.0778","0.0785","","","","","","0.9187","","","","has coordinates","228713","2020-10-21","18:00:00",""
"1549511","8.5388","0.0005","14.2697","0.0008","22.0284","0.0014","90","","94.249","0.003","90","","2676.7","0.3","123","","123","","","","","","","","Rajesh Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0412","0.0352","","0.0781","0.076","0.078","","","","","","0.9378","","","","has coordinates","228713","2020-10-21","18:00:00",""
"1549536","16.518","0.002","15.555","0.002","16.111","0.002","90","","104.402","0.003","90","","4009.4","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Co N2 O7 -","- C17 H19 Co N2 O7 -","- C136 H152 Co8 N16 O56 -","8","1","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71076","MoKα","","0.0775","0.0562","","","0.1538","0.1775","","","","","","1.045","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549537","16.418","0.003","15.589","0.003","16.101","0.003","90","","103.863","0.004","90","","4000.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 Co2 N5 O15 -","- C37 H45 Co2 N5 O15 -","- C148 H180 Co8 N20 O60 -","4","0.5","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71073","MoKα","","0.069","0.0535","","","0.1603","0.1779","","","","","","1.043","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549538","10.0308","0.0012","12.6903","0.0016","19.943","0.002","90","","90","","90","","2538.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 B Br N O6 -","- C23 H33 B Br N O6 -","- C92 H132 B4 Br4 N4 O24 -","4","1","","Chen, Lili; Shen, Jun-Jian; Gao, Qian; Xu, Senmiao","Synthesis of cyclic chiral α-amino boronates by copper-catalyzed asymmetric dearomative borylation of indoles.","Chemical science","2018","9","26","5855","5859","10.1039/c8sc01815d","","","0.71073","MoKα","","0.0506","0.0408","","","0.104","0.1091","","","","","","1.001","","","","has coordinates","228705","2020-10-21","18:00:00",""
"1549543","12.0014","0.0012","13.0411","0.0012","17.0476","0.0015","88.379","0.004","81.381","0.004","74.642","0.004","2543.6","0.4","173","2","173.01","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O4 -","- C60 H48 N4 O4 -","- C120 H96 N8 O8 -","2","1","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1954","0.099","","","0.2315","0.2991","","","","","","1.012","","","","has coordinates,has disorder","228661","2020-10-21","18:00:00",""
"1549544","25.387","0.002","27.537","0.003","21.8595","0.0019","90","","90","","90","","15282","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H50 Cl2 N4 O4 S2 -","- C59 H50 Cl2 N4 O4 S2 -","- C708 H600 Cl24 N48 O48 S24 -","12","3","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1711","0.0873","","","0.1854","0.2351","","","","","","1.035","","","","has coordinates","228661","2020-10-21","18:00:00",""
"1549555","9.1363","0.0001","13.549","0.0001","15.3864","0.0002","90","","90","","90","","1904.65","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O3 S -","- C19 H22 F3 N O3 S -","- C76 H88 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0453","0.0442","","","0.1242","0.1257","","","","","","1.054","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549556","8.5712","0.0003","9.5542","0.0003","12.0362","0.0004","91.908","0.003","103.104","0.003","97.556","0.003","949.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0472","0.0447","","","0.118","0.1206","","","","","","1.039","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549557","8.0524","0.0006","10.279","0.0006","21.1646","0.0013","90","","90","","90","","1751.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O3 S -","- C17 H18 F3 N O3 S -","- C68 H72 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","x-ray","0.71073","MoKα","","0.0594","0.0468","","","0.0924","0.0982","","","","","","1.044","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549558","8.5335","0.0006","8.9158","0.0006","15.6189","0.001","94.244","0.002","92.845","0.002","113.418","0.0019","1083.39","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 I2 In N O6 -","- C17 H20 I2 In N O6 -","- C34 H40 I4 In2 N2 O12 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0423","","","","0.1112","","","","","","1.447","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549559","7.2953","0.0003","10.6797","0.0009","10.9105","0.0008","71.041","0.007","73.634","0.006","78.807","0.006","766.42","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 I3 In O2 -","- C10 H8 I3 In O2 -","- C20 H16 I6 In2 O4 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","1.54184","CuKα","","","0.0491","","","","0.0805","","","","","","1.012","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549560","3.8763","0.0005","12.0424","0.0019","26.146","0.004","90","","90","","90","","1220.5","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cl O3 -","- C16 H9 Cl O3 -","- C64 H36 Cl4 O12 -","4","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0661","","","","0.1165","","","","","","0.99","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549561","8.749","0.0006","9.0176","0.0006","12.167","0.0008","92.712","0.0016","100.266","0.0015","92.8365","0.0016","941.85","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 I N O4 -","- C9 H4 I N O4 -","- C36 H16 I4 N4 O16 -","4","2","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0584","","","","0.0953","","","","","","0.995","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549565","11.60758","0.00019","16.9798","0.0003","22.4892","0.0004","90","","94.829","0.0015","90","","4416.76","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Cl4 Os P2 Si -","- C49 H46 Cl4 Os P2 Si -","- C196 H184 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0651","0.0431","","","0.0906","0.0972","","","","","","1.003","","","","has coordinates","228664","2020-10-21","18:00:00",""
"1549566","13.9889","0.0002","16.453","0.0002","21.3301","0.0003","90","","97.273","0.001","90","","4869.82","0.11","100","0.1","100","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C53 H48 Cl4 Os P2 Si -","- C53 H48 Cl4 Os P2 Si -","- C212 H192 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0284","0.0276","","","0.0695","0.07","","","","","","1.034","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549567","11.4227","0.0002","17.2735","0.0003","13.9125","0.0003","90","","102.838","0.0019","90","","2676.46","0.09","100.01","0.1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H52 Cl8 Os P2 Si -","- C55 H52 Cl8 Os P2 Si -","- C110 H104 Cl16 Os2 P4 Si2 -","2","0.5","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","","1.54184","CuKα","","0.0466","0.0424","","","0.1003","0.1023","","","","","","1.077","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549568","14.2067","0.0006","15.9799","0.0008","18.6556","0.001","90","","94.05","0.002","90","","4224.6","0.4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 As Cl F6 N9 O6 S2 -","- C34 H36 As Cl F6 N8 O6 S2 -","- C136 H144 As4 Cl4 F24 N32 O24 S8 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.1031","0.0512","","","0.1096","0.1381","","","","","","1.09","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549569","14.0065","0.0003","15.9167","0.0003","21.8331","0.0005","90","","107.966","0.0013","90","","4630.08","0.17","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino arsenic tristriflate","","- C37 H39 As F9 N9 O9 S3 -","- C37 H39 As F9 N9 O9 S3 -","- C148 H156 As4 F36 N36 O36 S12 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","1.54178","CuKα","","0.0989","0.0898","","","0.2548","0.2635","","","","","","1.057","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549570","13.0553","0.0005","25.1646","0.0012","14.6359","0.0006","90","","114.619","0.0015","90","","4371.2","0.3","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19.5 N7.5 P -","- C25 H19.5 N7.5 P -","- C200 H156 N60 P8 -","8","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0495","0.0385","","","0.0899","0.0988","","","","","","1.094","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549571","13.753","0.007","14.06","0.007","14.321","0.007","109.504","0.013","98.444","0.013","111.998","0.009","2300","2","170","2","170.02","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 F11 N9 O9 P S3 -","- C37 H39 F11 N9 O9 P S3 -","- C74 H78 F22 N18 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","","0.2467","0.1889","","","0.5278","0.569","","","","","","1.083","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549572","13.1877","0.0006","13.3482","0.0007","13.4824","0.0007","79.6653","0.0007","63.0215","0.0006","84.7868","0.0007","2080.63","0.18","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino antimony fluoride bis triflate","","- C36 H39 F7 N9 O6 S2 Sb -","- C36 H39 F7 N9 O6 S2 Sb -","- C72 H78 F14 N18 O12 S4 Sb2 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","K-L~3~","0.0586","0.0434","","","0.1033","0.1125","","","","","","1.039","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549573","10.8599","0.0007","10.9646","0.0008","20.3805","0.0014","81.217","0.002","83.234","0.002","89.295","0.002","2381.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 F9 N10 O9 P S3 -","- C39 H42 F9 N10 O9 P S3 -","- C78 H84 F18 N20 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.094","0.0539","","","0.1264","0.148","","","","","","1.0695","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549574","12.726","0.005","18.899","0.008","20.823","0.008","102.659","0.014","97.475","0.014","99.315","0.014","4750","3","150","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C152 H162 F36 N38 O36 S12 Sb4 -","4","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0582","0.0368","","","0.0846","0.0993","","","","","","1.0632","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549575","22.679","0.007","10.176","0.003","21.562","0.006","90","","94.879","0.004","90","","4958","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C216 H224 N32 O16 -","8","1","","Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao","(Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins.","Chemical science","2018","9","28","6085","6090","10.1039/c8sc01882k","","","0.71073","MoKα","","0.0967","0.0444","","","0.0939","0.1222","","","","","","1.009","","","","has coordinates","228625","2020-10-21","18:00:00",""
"1549577","7.3405","0.0003","11.1063","0.0004","16.76","0.0007","83.668","0.002","77.493","0.002","78.301","0.002","1303.08","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 I4 N2 O -","- C23 H20 I4 N2 O -","- C46 H40 I8 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0507","","","0.0977","0.1044","","","","","","1.155","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549578","7.28","0.0002","10.9585","0.0004","16.0936","0.0006","89.758","0.001","79.735","0.001","78.541","0.001","1237.53","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Br2 I2 N2 O -","- C23 H20 Br2 I2 N2 O -","- C46 H40 Br4 I4 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0473","0.0281","","","0.0546","0.0587","","","","","","1.034","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549579","8.0582","0.0003","11.0044","0.0004","17.7067","0.0006","99.618","0.002","91.239","0.002","104.624","0.002","1494.58","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F7 I2 N3 O6 S2 -","- C24 H16 F7 I2 N3 O6 S2 -","- C48 H32 F14 I4 N6 O12 S4 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0836","0.0895","","","","","","1.058","","","","has coordinates,has disorder","228712","2020-10-21","18:00:00",""
"1549580","22.337","0.002","12.7364","0.0013","10.9081","0.0011","90","","90","","90","","3103.3","0.5","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H16 F6 I2 N2 O6 S2 -","- C24 H16 F6 I2 N2 O6 S2 -","- C96 H64 F24 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0609","0.0383","","","0.0783","0.0868","","","","","","1.129","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549581","10.9739","0.0012","17.8839","0.0019","12.1266","0.0012","90","","102.951","0.003","90","","2319.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 F I2 N3 -","- C22 H16 Br2 F I2 N3 -","- C88 H64 Br8 F4 I8 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.061","0.0362","","","0.0739","0.0821","","","","","","1.085","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549582","17.086","0.003","18.092","0.003","13.3174","0.0018","90","","111.458","0.004","90","","3831.3","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F I4 N3 -","- C36 H44 F I4 N3 -","- C144 H176 F4 I16 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0684","0.0465","","","0.1124","0.1247","","","","","","1.149","","","","has coordinates,has disorder","228712","2020-10-21","18:00:00",""
"1549583","9.1408","0.0003","18.1854","0.0006","13.7305","0.0005","90","","100.82","0.001","90","","2241.83","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 I2 N2 -","- C22 H16 Cl2 I2 N2 -","- C88 H64 Cl8 I8 N8 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0398","0.0272","","","0.0591","0.0634","","","","","","1.064","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549591","10.664","0.003","10.372","0.002","14.789","0.004","90","","104.778","0.006","90","","1581.7","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","ethyl (R)-6-methoxy-2-oxo-4-(1-tosyl-1H-indol-2-yl)-3,4-dihydro-2H-naphtho[2,1-e][1,3]oxazine-4-carboxylate","","","- C32 H27 Cl3 N2 O7 S -","- C32 H27 Cl3 N2 O7 S -","- C64 H54 Cl6 N4 O14 S2 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0361","0.0318","","","0.0794","0.0814","","","","","","1.041","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549592","5.8577","0.0016","14.389","0.004","9.621","0.003","90","","94.654","0.006","90","","808.2","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl (S)-(1-(3-bromophenyl)-2-hydroxy-1-(5-methoxyfuran-2-yl)ethyl)carbamate","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0297","0.0248","","","0.0504","0.0508","","","","","","0.826","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549593","11.4778","0.0015","13.6448","0.0018","36.849","0.005","90","","90","","90","","5771","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-3,3'-Di([1,1':3',1''-terphenyl]-5'-yl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diyl bis(dihydrogen phosphate) pyridinium salt","","","- C67 H60 Cl2 N2 O8 P2 -","- C67 H60 Cl2 N2 O8 P2 -","- C268 H240 Cl8 N8 O32 P8 -","4","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0494","0.0374","","","0.0884","0.0944","","","","","","1.017","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549594","12.7831","0.0018","14.6459","0.0016","14.8","0.002","116.231","0.011","101.896","0.013","102.26","0.02","2282.2","0.7","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2'-((Hydroxy(isopropoxy)phosphoryl)oxy)-3-(2,4,6-tricyclohexylphenyl)-[1,1'-binaphthalen]-2-yl dihydrogen phosphate (R/S-Dimer)","","","- C47 H56 O8 P2 -","- C47 H56 O8 P2 -","- C94 H112 O16 P4 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0538","0.0477","","","0.1472","0.151","","","","","","1.091","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549595","7.8572","0.0013","10.5461","0.0018","14.099","0.002","70.648","0.002","88.911","0.002","85.089","0.003","1098.2","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F N2 O4 -","- C26 H27 F N2 O4 -","- C52 H54 F2 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0787","0.0527","","","0.1088","0.1202","","","","","","1.052","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549596","7.945","0.003","10.546","0.003","14.045","0.004","70.523","0.004","88.065","0.004","83.805","0.005","1103","0.6","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C52 H56 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0906","0.0538","","","0.1188","0.136","","","","","","1.022","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549597","7.6953","0.0009","15.2435","0.0018","18.799","0.002","90","","97.426","0.002","90","","2186.7","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.067","0.045","","","0.0977","0.1057","","","","","","1.026","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549610","13.0333","0.0006","16.6343","0.0007","19.8726","0.0009","90","","96.392","0.002","90","","4281.6","0.3","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-nickel(II)","","- C51 H59 N2 Ni S -","- C51 H59 N2 Ni S -","- C204 H236 N8 Ni4 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0448","0.0328","","","0.0729","0.0777","","","","","","1.013","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549611","12.686","0.003","19.394","0.005","30.321","0.008","88.294","0.005","80.235","0.005","81.137","0.005","7264","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-nickel(II)","","- C55.66667 H72 N2 Ni S -","- C55.6667 H72 N2 Ni S -","- C334 H432 N12 Ni6 S6 -","6","3","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1841","0.0698","","","0.0944","0.1236","","","","","","0.963","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549612","18.558","0.0009","16.822","0.0008","19.0552","0.001","90","","96.441","0.003","90","","5911.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C102 H172 K2 N4 Ni2 O12 S2 -","- C102 H154 K2 N4 Ni2 O12 S2 -","- C204 H308 K4 N8 Ni4 O24 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1786","0.0845","","","0.2132","0.2636","","","","","","1.012","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549613","12.7125","0.0006","22.4934","0.0011","20.0532","0.0012","90","","102.126","0.004","90","","5606.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-nickel(II)-potassium","","- C53 H89 K N4 Ni O6 S -","- C53 H89 K N4 Ni O6 S -","- C212 H356 K4 N16 Ni4 O24 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1259","0.0601","","","0.1175","0.1404","","","","","","0.964","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549614","13.1937","0.0013","13.2978","0.0013","16.6951","0.0016","88.621","0.002","74.52","0.002","88.213","0.002","2821.1","0.5","108","2","108","2","","","","","","","","7","P -1","-P 1","2","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C56 H80 K N2 Ni O6 S -","- C56 H80 K N2 Ni O6 S -","- C112 H160 K2 N4 Ni2 O12 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0642","0.0397","","","0.1098","0.1304","","","","","","0.86","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549615","11.847","0.003","13.438","0.003","19.455","0.005","94.052","0.005","95.344","0.006","91.766","0.006","3073.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Thiohyponitrite-κ2-O,S)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C108.5 H175 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","1","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1868","0.0906","","","0.2564","0.3121","","","","","","1.017","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549619","6.8489","0.0002","15.7645","0.0005","19.4642","0.0005","90","","90","","90","","2101.54","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 I N2 O3 -","- C24 H23 I N2 O3 -","- C96 H92 I4 N8 O12 -","4","1","","Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon","Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones.","Chemical science","2018","9","30","6368","6373","10.1039/c8sc00913a","","","0.71073","MoKα","","0.0313","0.027","","","0.0602","0.0617","","","","","","1.035","","","","has coordinates","228806","2020-10-21","18:00:00",""
"1549620","19.1685","0.0005","5.7871","0.0003","14.8903","0.0003","90","","90","","90","","1651.78","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Li, Wei; Wollenburg, Marco; Glorius, Frank","Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones.","Chemical science","2018","9","29","6260","6263","10.1039/c8sc01869c","","","0.71073","MoKα","","0.0515","0.0445","","","0.0873","0.0915","","","","","","1.091","","","","has coordinates","228623","2020-10-21","18:00:00",""
"1549621","9.3334","0.0015","19.56","0.003","13.636","0.002","90","","94.259","0.005","90","","2482.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0779","0.0465","","","0.1231","0.1448","","","","","","1.036","","","","has coordinates","228626","2020-10-21","18:00:00",""
"1549622","13.3069","0.0005","18.6034","0.0009","27.4104","0.0012","90","","102.321","0.002","90","","6629.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N10 O8 Zn -","- C66 H44 N10 O8 Zn -","- C264 H176 N40 O32 Zn4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","1.54178","CuKα","","0.0767","0.0625","","","0.1908","0.2004","","","","","","1.096","","","","has coordinates,has disorder","228626","2020-10-21","18:00:00",""
"1549623","10.4399","0.0014","11.3331","0.0015","13.2139","0.0018","100.001","0.002","99.774","0.002","99.056","0.002","1488.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N6 O7 Zn -","- C33 H22 N6 O7 Zn -","- C66 H44 N12 O14 Zn2 -","2","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0854","0.0506","","","0.1376","0.1717","","","","","","0.996","","","","has coordinates","228626","2020-10-21","18:00:00",""
"1549629","12.8973","0.0007","12.5342","0.0006","17.2106","0.0008","90","","98.668","0.002","90","","2750.4","0.2","100","2","100.04","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C48 H86 B Fe K2 N2 O6 P3 -","- C48 H86 B Fe K2 N2 O6 P3 -","- C96 H172 B2 Fe2 K4 N4 O12 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0408","0.0315","","","0.0658","0.069","","","","","","1.021","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549630","11.3464","0.0004","35.5398","0.0014","15.8541","0.0006","90","","90.839","0.001","90","","6392.5","0.4","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H95 B Fe K N2 O10 P3 -","- C64 H95 B Fe K N2 O10 P3 -","- C256 H380 B4 Fe4 K4 N8 O40 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0593","0.0389","","","0.08","0.0872","","","","","","1.039","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549631","11.3085","0.0005","24.2407","0.0012","37.5101","0.0018","90","","90","","90","","10282.5","0.8","100","2","99.97","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H81 B Fe N3 P3 Si2 -","- C47 H81 B Fe N3 P3 Si2 -","- C376 H648 B8 Fe8 N24 P24 Si16 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0689","0.0567","","","0.1215","0.1258","","","","","","1.19","","","","has coordinates","228622","2020-10-21","18:00:00",""
"1549632","12.4653","0.0018","13.091","0.003","21.997","0.003","97.411","0.01","95.734","0.004","117.826","0.008","3095","1","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H85 B Fe K N2 O P3 Si -","- C49 H85 B Fe K N2 O P3 Si -","- C98 H170 B2 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0555","0.0397","","","0.0957","0.1014","","","","","","1.03","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549633","27.577","0.003","15.5573","0.0016","38.526","0.004","90","","100.863","0.001","90","","16232","3","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.22 H90.92 B2 F24 Fe N P3 -","- C79.215 H90.916 B2 F24 Fe N P3 -","- C633.72 H727.328 B16 F192 Fe8 N8 P24 -","8","2","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.1044","0.0748","","","0.1845","0.1984","","","","","","1.124","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549634","7.8295","0.0007","25.776","0.002","11.1821","0.0011","90","","128.014","0.003","90","","1778","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B10 N -","- C14 H21 B10 N -","- C56 H84 B40 N4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.1213","0.089","","","0.2349","0.2559","","","","","","1.053","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549635","11.4617","0.0004","7.484","0.0003","23.7344","0.0008","90","","96.0865","0.0014","90","","2024.45","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 Cl N O -","- C14 H24 B10 Cl N O -","- C56 H96 B40 Cl4 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","1.54178","CuKα","","0.0664","0.0542","","","0.145","0.1569","","","","","","1.034","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549636","7.224","0.0003","24.584","0.0011","11.2382","0.0005","90","","90","","90","","1995.85","0.15","297","2","297","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C18 H22 B10 N -","- C18 H22 B10 N -","- C72 H88 B40 N4 -","4","0.5","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.0542","0.0496","","","0.139","0.1439","","","","","","1.054","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549640","10.118","0.001","14.0353","0.0014","28.194","0.003","90","","90","","90","","4003.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Br N O3 -","- C49 H48 Br N O3 -","- C196 H192 Br4 N4 O12 -","4","1","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0714","0.0537","","","0.1295","0.1392","","","","","","1.04","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549641","14.151","0.003","14.717","0.004","16.184","0.003","90","","111.316","0.006","90","","3139.9","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O4 -","- C35 H41 N2 O4 -","- C140 H164 N8 O16 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0722","0.0679","","","0.1771","0.1835","","","","","","0.951","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549642","11.571","0.003","25.09","0.006","11.915","0.004","90","","90","","90","","3459.1","1.7","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 N2 O6 S -","- C36 H43 N2 O6 S -","- C144 H172 N8 O24 S4 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.128","0.0701","","","0.1512","0.1747","","","","","","0.933","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549643","24.731","0.005","14.057","0.003","25.496","0.005","90","","112.797","0.004","90","","8171","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H132 Dy10 N32 O54 P4 -","- C138 H132 Dy10 N32 O54 P4 -","- C276 H264 Dy20 N64 O108 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.13","0.0935","","","0.2373","0.2675","","","","","","1.086","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549644","24.653","0.003","14.5645","0.0019","26.067","0.003","90","","112.969","0.003","90","","8617.5","1.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1733","0.1021","","","0.2161","0.2725","","","","","","1.004","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549645","24.6145","0.0016","14.5657","0.0011","26.0805","0.0018","90","","112.968","0.002","90","","8609.3","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1247","0.0832","","","0.1761","0.2017","","","","","","1.047","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549646","25.525","0.006","14.312","0.004","25.318","0.006","90","","111.413","0.005","90","","8611","4","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H112 Dy10 N32 O50 P4 -","- C134 H116 Dy10 N32 O50 P4 -","- C268 H232 Dy20 N64 O100 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.2614","0.1482","","","0.2886","0.3499","","","","","","1.042","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549647","26.7135","0.0007","26.7135","0.0007","71.325","0.004","90","","90","","120","","44079","3","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C1260 H1188 Cl54 Dy90 N288 O468 P36 -","9","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.0755","0.0617","","","0.1319","0.1459","","","","","","0.987","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549648","33.833","0.003","18.7022","0.0013","36.604","0.004","90","","111.908","0.0015","90","","21489","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C560 H960 Cu104 F48 N48 O64 P8 S96 -","8","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.2242","0.1473","","","0.3014","0.3241","","","","","","1.114","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549649","18.2449","0.0013","23.218","0.0015","23.3841","0.0017","90","","90","","90","","9905.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Cu12 N6 O8 S13 -","- C70 H120 Cu12 N6 O8 S13 -","- C280 H480 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1096","0.0717","","","0.182","0.2124","","","","","","1.069","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549650","21.8103","0.0005","22.977","0.0006","22.0395","0.0006","90","","90","","90","","11044.8","0.5","100","2","100","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C340 H408 Cl2.8 Cu49.2 F120 N24 O4 P4 S48 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0508","0.045","","","0.1084","0.1122","","","","","","1.099","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549651","17.6501","0.0006","19.8146","0.0006","32.8484","0.0011","86.5157","0.0009","89.7691","0.0009","75.775","0.0008","11114.5","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C350 H524 Cl4 Cu48 F24 N24 O2 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0893","0.0664","","","0.1885","0.2022","","","","","","1.107","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549652","17.7551","0.0015","19.6625","0.0017","32.767","0.003","85.8425","0.0017","85.698","0.0017","76.1094","0.0016","11055.9","1.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H128 Br Cu12 F6 N6 P S12 -","- C86 H128 Br Cu12 F6 N6 P S12 -","- C344 H512 Br4 Cu48 F24 N24 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.17","0.0806","","","0.2095","0.2652","","","","","","1.047","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549653","31.396","0.003","19.8294","0.0017","33.181","0.003","90","","97.8261","0.0017","90","","20465","3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C528 H936 Cl20 Cu96 F24 N48 O48 P4 S96 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1563","0.0997","","","0.2132","0.2334","","","","","","1.015","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549654","19.1023","0.0009","23.8001","0.0011","24.5421","0.0012","90","","90","","90","","11157.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H128 Cu12 N6 O8 S13 -","- C74 H128 Cu12 N6 O8 S13 -","- C296 H512 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0592","0.049","","","0.1406","0.15","","","","","","1.043","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549655","10.175","0.002","16.218","0.003","16.588","0.003","84.402","0.006","81.108","0.007","76.3","0.007","2622.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Fe N5 O4 S2 -","- C52 H62 Fe N5 O4 S2 -","- C104 H124 Fe2 N10 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","x-ray","0.71073","MoKα","","0.1327","0.0961","","","0.2401","0.2653","","","","","","1.041","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549656","17.4061","0.0012","10.7648","0.0008","31.052","0.002","90","","91.3044","0.0009","90","","5816.8","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H87 Co N6 O4.5 S2 -","- C61.5 H87 Co N6 O4.875 S2 -","- C246 H348 Co4 N24 O19.5 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0888","0.0718","","","0.1912","0.2053","","","","","","1.046","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549657","16.1329","0.0011","27.6083","0.0019","13.2048","0.0009","90","","105.613","0.0008","90","","5664.4","0.7","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Ga N5 O6 S2 -","- C50 H72 Ga N5 O6 S2 -","- C200 H288 Ga4 N20 O24 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0762","0.0624","","","0.1769","0.1888","","","","","","1.051","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549658","18.006","0.002","18.271","0.002","18.568","0.002","110.972","0.0012","109.602","0.0013","95.477","0.0013","5209.6","1","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Co N5 O5 S2 -","- C56 H70 Co N5 O5 S2 -","- C224 H280 Co4 N20 O20 S8 -","4","2","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1096","0.079","","","0.2105","0.2437","","","","","","1.009","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549659","9.4615","0.0009","18.3994","0.0018","18.765","0.0019","107.605","0.0012","100.024","0.0012","93.8094","0.0012","3041.4","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H93 Fe N5 O6 S2 -","- C59 H93 Fe N5 O6 S2 -","- C118 H186 Fe2 N10 O12 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0995","0.0785","","","0.2149","0.2349","","","","","","1.032","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549660","10.6709","0.0011","17.4933","0.0018","17.8715","0.0018","113.478","0.0012","98.8759","0.0012","91.3574","0.0013","3009.9","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Fe N6 O4 S2 -","- C60 H82 Fe N6 O4 S2 -","- C120 H164 Fe2 N12 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1044","0.0895","","","0.2428","0.2597","","","","","","1.036","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549663","9.3819","0.0002","10.3076","0.0002","10.6318","0.0003","90.7648","0.0007","114.212","0.0009","100.138","0.001","918.87","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Leitch, Jamie A.; Fuentes de Arriba, Angel L.; Tan, Joanne; Hoff, Oskar; Martínez, Carlos M; Dixon, Darren J.","Photocatalytic reverse polarity Povarov reaction.","Chemical science","2018","9","32","6653","6658","10.1039/c8sc01704b","","","0.71073","MoKα","","0.0449","0.0376","","0.0982","0.0923","0.0982","","","","","","1.0045","","","","has coordinates","228670","2020-10-21","18:00:00",""
"1549671","15.9653","0.0003","17.691","0.0004","18.2258","0.0005","61.811","0.002","88.11","0.002","64.125","0.002","3983.8","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","1","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0496","0.0406","","","0.1124","0.1174","","","","","","1.032","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549672","18.5382","0.0015","25.36","0.0016","19.6509","0.0016","90","","116.08","0.01","90","","8297.8","1.3","97","","97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C152 H164 Cu4 O34 -","- C152 H164 Cu4 O34 -","- C304 H328 Cu8 O68 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0635","0.0468","","","0.1223","0.1301","","","","","","1.028","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549673","17.9146","0.0002","18.0902","0.0003","27.6891","0.0003","77.345","0.001","83.125","0.001","61.947","0.001","7725.35","0.19","92","","92","","","","","","","","","5","P -1","-P 1","2","","","","- C108.67 H59 N O24 Rh4 -","- C108.667 H59 N O24 Rh4 -","- C217.333 H118 N2 O48 Rh8 -","2","1","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0687","0.0568","","","0.1585","0.1693","","","","","","1.035","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549676","12.8157","0.0008","8.8179","0.0005","15.3168","0.0009","90","","106.818","0.002","90","","1656.88","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 N7 Ni O9 -","- C10 H24 N7 Ni O9 -","- C40 H96 N28 Ni4 O36 -","4","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0231","0.0206","","","0.0531","0.0543","","","","","","1.063","","","","has coordinates","228807","2020-10-21","18:00:00",""
"1549677","7.371","0.005","8.496","0.004","9.08","0.005","89.163","0.003","76.951","0.005","81.894","0.004","548.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","1","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0408","0.0355","","","0.1008","0.118","","","","","","1.187","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549678","7.4549","0.0013","9.0814","0.0016","16.935","0.003","88.505","0.007","81.132","0.007","76.008","0.007","1099.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 N9 Ni O15 -","- C10 H26 N9 Ni O15 -","- C20 H52 N18 Ni2 O30 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0549","0.0337","","","0.0878","0.1241","","","","","","1.1","","","","has coordinates","228807","2020-10-21","18:00:00",""
"1549679","7.59","0.06","8.72","0.07","15.75","0.12","83.72","0.09","81.37","0.09","80.39","0.11","1012","14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl N6 Ni O4 S2 -","- C12 H24 Cl N6 Ni O4 S2 -","- C24 H48 Cl2 N12 Ni2 O8 S4 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0983","0.0651","","","0.1423","0.1587","","","","","","1.017","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549682","13.2969","0.0004","22.3943","0.0005","25.1034","0.0006","90","","90","","90","","7475.2","0.3","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl9 N7 O8 -","- C72 H72 Cl9 N7 O8 -","- C288 H288 Cl36 N28 O32 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","","1.54178","CuKα","","0.0733","0.062","","","0.1603","0.1709","","","","","","1.033","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549683","9.7198","0.0006","18.6592","0.0011","14.0802","0.0012","90","","90.161","0.007","90","","2553.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl3 N8 O5 -","- C53 H53 Cl3 N8 O5 -","- C106 H106 Cl6 N16 O10 -","2","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0884","0.0614","","","0.1542","0.1719","","","","","","1.034","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549684","15.5782","0.0006","18.4753","0.0005","24.4315","0.0007","90","","91.976","0.003","90","","7027.5","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H87.5 N8 O11.75 -","- C72 H87.5 N8 O11.75 -","- C288 H350 N32 O47 -","4","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.1089","0.0579","","","0.1297","0.1572","","","","","","0.981","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549685","22.0413","0.0003","23.2593","0.0004","25.4959","0.0005","90","","90","","90","","13070.9","0.4","150.02","0.1","150.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.79 H77.17 N7 O10.4 -","- C70.7915 H77.375 N7 O10.396 -","- C566.332 H619 N56 O83.168 -","8","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1617","0.1757","","","","","","1.015","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549686","10.5967","0.0004","21.5835","0.0008","28.6986","0.0006","90","","90","","90","","6563.8","0.4","150.06","0.1","150.06","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.57 H83.27 N7 O9.57 -","- C70.568 H83.272 N7 O9.568 -","- C282.272 H333.088 N28 O38.272 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0806","0.0687","","","0.1928","0.2035","","","","","","1.061","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549705","13.2989","0.0003","13.2989","0.0003","17.4417","0.0006","90","","90","","90","","3084.75","0.14","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H60 B F24 Fe P4 -","- C52 H60 B F24 Fe P4 -","- C104 H120 B2 F48 Fe2 P8 -","2","0.25","","Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E.","Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state.","Chemical science","2018","9","37","7362","7369","10.1039/c8sc01841c","","","0.71073","MoKα","","0.0596","0.0466","","","0.0997","0.1067","","","","","","1.042","","","","has coordinates,has disorder","228659","2020-10-21","18:00:00",""
"1549706","11.268","0.002","16.335","0.003","9.5163","0.0019","90","","114.91","0.03","90","","1588.6","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin","Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids.","Chemical science","2018","9","33","6839","6843","10.1039/c8sc02101e","","","0.71073","MoKα","","0.083","0.0568","","","0.1233","0.1393","","","","","","1.072","","","","has coordinates","228683","2020-10-21","18:00:00",""
"1549707","12.7848","0.0008","13.0223","0.0008","13.1304","0.0009","93.792","0.003","92.468","0.003","90.347","0.003","2179.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Fe(IV)-nitroxyl","[Fe(NO)(TAML)]-","","- C47 H52 Fe N5 O6 P -","- C47 H52 Fe N5 O6 P -","- C94 H104 Fe2 N10 O12 P2 -","2","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.0423","0.0348","","","0.0874","0.0938","","","","","","1.027","","","","has coordinates","228847","2020-10-21","18:00:00",""
"1549708","18.404","0.004","18.521","0.004","17.725","0.003","90","","102.745","0.003","90","","5893","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(III)(NO2)(TAML)","Fe(III)-nitrito","","- C51 H94 Fe N7 O6 -","- C51 H94 Fe N7 O6 -","- C204 H376 Fe4 N28 O24 -","4","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.1091","0.0819","","","0.2515","0.2745","","","","","","1.063","","","","has coordinates,has disorder","228847","2020-10-21","18:00:00",""
"1549709","11.0216","0.0004","14.4762","0.0005","14.5765","0.0006","83.804","0.001","85.851","0.001","69.748","0.001","2167.64","0.14","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 F12 N7 P2 Ru -","- C39 H33 F12 N7 P2 Ru -","- C78 H66 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0305","0.0298","","","0.0806","0.0813","","","","","","1.028","","","","has coordinates,has disorder","228669","2020-10-21","18:00:00",""
"1549710","11.9502","0.0004","13.3979","0.0004","13.5014","0.0004","82.904","0.001","83.437","0.001","79.213","0.001","2097.98","0.11","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 F12 N7 P2 Ru -","- C39 H29 F12 N7 P2 Ru -","- C78 H58 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.05","0.0473","","","0.1275","0.1296","","","","","","1.064","","","","has coordinates","228669","2020-10-21","18:00:00",""
"1549711","18.547","0.0004","23.5958","0.0006","17.833","0.0004","90","","119.975","0.001","90","","6760.4","0.3","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H25 F3 N4 O2 P0.5 Ru -","- C30 H25 F3 N4 O2 P0.5 Ru -","- C240 H200 F24 N32 O16 P4 Ru8 -","8","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0456","0.0402","","","0.0983","0.102","","","","","","1.097","","","","has coordinates","228669","2020-10-21","18:00:00",""
"1549716","20.7206","0.0004","9.8606","0.0002","6.3486","0.0001","90","","90","","90","","1297.13","0.04","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","","Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.","Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.","Chemical science","2018","9","34","6969","6974","10.1039/c8sc01804a","","","1.54184","CuKα","","0.0378","0.0372","","0.1075","0.1067","0.1075","","","","","","0.9904","","","","has coordinates,has disorder","228846","2020-10-21","18:00:00",""
"1549723","14.3151","0.0003","6.8774","0.0001","23.4347","0.0005","90","","106.959","0.0007","90","","2206.84","0.07","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl4 Rh -","- C24 H19 Cl4 Rh -","- C96 H76 Cl16 Rh4 -","4","1","","Yang, Junfeng; Shen, Yixiao; Lim, Yang Jie; Yoshikai, Naohiko","Divergent ring-opening coupling between cyclopropanols and alkynes under cobalt catalysis.","Chemical science","2018","9","34","6928","6934","10.1039/c8sc02074d","","","0.71073","MoKα","","0.0387","0.0292","","","0.0611","0.066","","","","","","1.043","","","","has coordinates","228848","2020-10-21","18:00:00",""
"1549724","12.069","0.0005","30.5791","0.0011","36.076","0.002","90","","90","","90","","13314.2","1","150.02","0.1","150.02","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C15 H9 F7.05 -","- C15 H9 F7.0485 -","- C600 H360 F281.94 -","40","5","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.2122","0.1041","","","0.2713","0.3542","","","","","","1.035","","","","has coordinates,has disorder","228839","2020-10-21","18:00:00",""
"1549725","13.442","0.002","13.4424","0.0016","7.0546","0.001","90","","93.892","0.014","90","","1271.8","0.3","149.9","0.4","149.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 O2 -","- C15 H12 F2 O2 -","- C60 H48 F8 O8 -","4","1","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.1303","0.0661","","","0.1292","0.1633","","","","","","1.016","","","","has coordinates","228839","2020-10-21","18:00:00",""
"1549726","8.4746","0.0007","9.5148","0.0007","45.506","0.003","90","","91.765","0.004","90","","3667.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl5 Cu N2 O6 S2 -","- C29 H39 Cl5 Cu N2 O6 S2 -","- C116 H156 Cl20 Cu4 N8 O24 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0865","0.0659","","","0.1682","0.188","","","","","","1.084","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549727","13.7982","0.0005","5.5253","0.0002","24.9052","0.0008","90","","103.39","0.002","90","","1847.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O2 S2 -","- C21 H20 O2 S2 -","- C84 H80 O8 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0654","0.0432","","","0.1213","0.1555","","","","","","1.124","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549730","32.7","0.018","10.89","0.006","30.813","0.017","90","","114.97","0.007","90","","9947","10","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H60 Cu9 N36 O6 S -","- C98 H60 Cu9 N36 O6 S -","- C392 H240 Cu36 N144 O24 S4 -","4","0.5","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","0.71073","MoKα","","0.1236","0.0696","","","0.1833","0.2138","","","","","","0.999","","","","has coordinates","228859","2020-10-21","18:00:00",""
"1549731","14.7327","0.0003","47.3434","0.0008","51.2702","0.0008","90","","97.581","0.002","90","","35448.2","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C294 H180 Cu27 N114 O4 S -","- C294 H180 Cu27 N114 O4 S -","- C1176 H720 Cu108 N456 O16 S4 -","4","1","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","1.54184","CuKα","","0.0942","0.0655","","","0.1286","0.1412","","","","","","1.023","","","","has coordinates,has disorder","228859","2020-10-21","18:00:00",""
"1549741","10.7394","0.0011","10.7693","0.001","12.2067","0.0012","90","","90","","90","","1411.8","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η8-cyclooctatetraenyl)-bis(acetonitrile)-erbium-iodide","","- C12 H14 Er I N2 -","- C12 H14 Er I N2 -","- C48 H56 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0261","0.0223","","","0.0368","0.0378","","","","","","0.945","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549742","8.4793","0.0007","9.3962","0.0007","22.2154","0.0017","90","","97.496","0.004","90","","1754.8","0.2","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(tetrahydrofuran)-erbium-iodide","","- C16 H24 Er I O2 -","- C16 H24 Er I O2 -","- C64 H96 Er4 I4 O8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0387","0.03","","","0.0611","0.0653","","","","","","1.171","","","","has coordinates,has disorder","228837","2020-10-21","18:00:00",""
"1549743","10.818","0.0008","8.8916","0.0006","18.3519","0.0013","90","","96.53","0.002","90","","1753.8","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(pyridine)-erbium-iodide","","- C18 H18 Er I N2 -","- C18 H18 Er I N2 -","- C72 H72 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0171","0.0149","","","0.0363","0.0376","","","","","","1.08","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549744","8.2903","0.0012","31.84","0.005","10.584","0.003","90","","102.02","0.007","90","","2732.5","1","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η8-cyclooctatetraenyl)-tris(3,5-dimethyl-1-pyrazolyl)borate erbium","","- C27 H38 B Er N6 O -","- C27 H38 B Er N6 O -","- C108 H152 B4 Er4 N24 O4 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0475","0.0318","","","0.0513","0.058","","","","","","1.098","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549745","13.0203","0.0007","10.3915","0.0006","12.893","0.0007","90","","103.151","0.002","90","","1698.68","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F3 N2 O2 -","- C16 H21 F3 N2 O2 -","- C64 H84 F12 N8 O8 -","4","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0585","0.0534","","","0.1463","0.15","","","","","","1.091","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549746","11.8915","0.0004","14.4371","0.0005","15.9414","0.0006","84.9399","0.0013","77.9747","0.0013","68.7283","0.0013","2494.14","0.15","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C72.5 H129 Cl9 F8 N4 O16 Pd6 -","2","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0397","0.0322","","","0.0776","0.0816","","","","","","1.024","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549747","13.2478","0.0002","19.4015","0.0002","20.3563","0.0003","115.227","0.0006","91.1995","0.0005","105.389","0.0005","4509.24","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35 Cl3 F20 N P Pd -","- C38 H35 Cl3 F20 N P Pd -","- C152 H140 Cl12 F80 N4 P4 Pd4 -","4","2","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","0.71073","MoKα","","0.0811","0.0544","","","0.1196","0.1356","","","","","","1.04","","","","has coordinates,has disorder","228700","2020-10-21","18:00:00",""
"1549751","30.4136","0.0013","11.7318","0.0005","20.6258","0.0015","90","","129.575","0.009","90","","5672.6","0.9","373","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C112 Al8 Cl24 F224 Li8 N8 O24 -","4","0.5","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0841","0.0651","","","0.1807","0.1964","","","","","","1.092","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549752","10.6841","0.0002","18.2966","0.0003","22.3798","0.0003","90","","94.822","0.001","90","","4359.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 Al2 F55 N O7 -","- C24 Al2 F55 N O7 -","- C96 Al8 F220 N4 O28 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0726","0.0489","","","0.1079","0.1202","","","","","","1.039","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549753","13.1028","0.0012","29.39","0.003","14.129","0.0012","90","","99.674","0.004","90","","5363.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H8 Ag Al2 F59 O6 -","- C36 H8 Ag1.0019 Al2 F59 O6 -","- C144 H32 Ag4.0076 Al8 F236 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0782","0.0633","","","0.1652","0.1793","","","","","","0.994","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549754","15.4856","0.0004","17.6866","0.0005","22.5679","0.0006","76.093","0.001","84.023","0.001","81.617","0.001","5920.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H12 Ag Al2 F61 O6 -","- C42 H12 Ag Al2 F61 O6 -","- C168 H48 Ag4 Al8 F244 O24 -","4","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0771","0.0555","","","0.1448","0.1604","","","","","","1.047","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549755","10.8066","0.0003","13.958","0.0004","17.2977","0.0005","90","","90.19","0.002","90","","2609.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Al F27 O6 -","- C15 H6 Al F27 O6 -","- C60 H24 Al4 F108 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0721","0.0429","","","0.0991","0.1161","","","","","","0.931","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549756","14.1565","0.0005","18.4564","0.0006","14.651","0.0005","90","","91.2","0.002","90","","3827.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H8 Ag Al F40 O4 -","- C28 H8 Ag Al F40 O4 -","- C112 H32 Ag4 Al4 F160 O16 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0685","0.0446","","","0.1066","0.1172","","","","","","1.029","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549757","10.2659","0.0002","17.4605","0.0004","20.9905","0.0005","90","","99.098","0.001","90","","3715.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H12 Ag Al F34 O3 -","- C30.006 H12.004 Ag Al F34.002 O3 -","- C120.024 H48.016 Ag4 Al4 F136.008 O12 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0324","0.0276","","","0.0674","0.0704","","","","","","1.022","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549758","15.476","0.0018","16.615","0.002","18.2967","0.0019","89.488","0.004","67.742","0.004","70.537","0.004","4068.1","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C100 H116 Ag2 Al4 Br4 Cl8 F110 O12 Si4 -","2","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0327","0.0272","","","0.0665","0.0693","","","","","","1.029","","","","has coordinates","228840","2020-10-21","18:00:00",""
"1549759","35.9221","0.0016","10.7468","0.0005","19.3985","0.0009","90","","102.381","0.002","90","","7314.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Al F28 Li O12 -","- C21 H18 Al F28 Li O12 -","- C168 H144 Al8 F224 Li8 O96 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0618","0.0449","","","0.1036","0.1132","","","","","","1.037","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549760","34.3712","0.001","10.6465","0.0003","13.7845","0.0004","90","","100.452","0.001","90","","4960.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Ag B F22 O2 -","- C20 H10 Ag B F22 O2 -","- C160 H80 Ag8 B8 F176 O16 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0306","0.0265","","","0.0568","0.0581","","","","","","1.141","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549761","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.25 H44.5 Cl0.5 N2 O9 -","- C48.25 H44.5 Cl0.5 N2 O9 -","- C386 H356 Cl4 N16 O72 -","8","4","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549762","11.8363","0.0004","12.6884","0.0004","14.8869","0.0005","108.968","0.003","104.837","0.003","104.872","0.003","1897.35","0.14","180.05","0.1","180.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O6 -","- C48 H42 N2 O6 -","- C96 H84 N4 O12 -","2","1","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.045","0.0352","","","0.0888","0.0954","","","","","","1.023","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549765","8.6842","0.001","18.1757","0.0018","8.5209","0.0008","90","","100.878","0.007","90","","1320.8","0.2","296","2","296","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Dibromo-bis(pyridine)-cobalt(II)","","- C10 H10 Br2 Co N2 -","- C10 H10 Br2 Co N2 -","- C40 H40 Br8 Co4 N8 -","4","1","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1847","0.1064","","","0.0813","0.0925","","","","","","1.25","","","","has coordinates","228836","2020-10-21","18:00:00",""
"1549766","9.1275","0.0007","12.1835","0.0008","14.8264","0.001","90","","95.764","0.007","90","","1640.4","0.2","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Dibromo-bis(4-vinylpyridine)-cobalt(II)","","- C14 H14 Br2 Co N2 -","- C14 H14 Br2 Co N2 -","- C56 H56 Br8 Co4 N8 -","4","0.5","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1037","0.0515","","","0.0649","0.075","","","","","","1.107","","","","has coordinates,has disorder","228836","2020-10-21","18:00:00",""
"1549767","12.8319","0.0007","18.8787","0.0012","9.3269","0.0005","90","","90","","90","","2259.4","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 P Si2 Tb -","- C20 H32 P Si2 Tb -","- C80 H128 P4 Si8 Tb4 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0638","0.0301","","","0.0465","0.0587","","","","","","1.082","","","","has coordinates","276399","2022-06-29","09:43:57",""
"1549768","15.1266","0.0006","10.815","0.0004","14.256","0.0008","90","","95.164","0.004","90","","2322.73","0.18","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Er P Si2 -","- C20 H32 Er P Si2 -","- C80 H128 Er4 P4 Si8 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0626","0.0356","","","0.0573","0.0691","","","","","","1.091","","","","has coordinates,has disorder","276399","2022-06-29","09:44:12",""
"1549769","12.8248","0.0007","18.9114","0.0012","9.3047","0.0004","90","","90","","90","","2256.7","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Dy P Si2 -","- C20 H32 Dy P Si2 -","- C80 H128 Dy4 P4 Si8 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0709","0.0324","","","0.048","0.0612","","","","","","1.076","","","","has coordinates","276399","2022-06-29","09:44:16",""
"1549770","15.0719","0.0008","10.8053","0.0006","14.3183","0.0009","90","","95.125","0.005","90","","2322.5","0.2","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Tm -","- C20 H32 P Si2 Tm -","- C80 H128 P4 Si8 Tm4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0775","0.04","","","0.0594","0.0723","","","","","","1.045","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549771","15.2388","0.0007","10.8568","0.0005","14.217","0.0008","90","","95.18","0.004","90","","2342.5","0.2","179.9","0.3","179.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Y -","- C20 H32 P Si2 Y -","- C80 H128 P4 Si8 Y4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","x-ray","0.71","MoKα","","0.0625","0.0395","","","0.068","0.073","","","","","","1.018","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549775","18.7793","0.0002","7.4521","0.0001","50.3987","0.0006","90","","90","","90","","7053.06","0.15","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","compound 8","","- C25 H15 N S2 -","- C25 H15 N S2 -","- C400 H240 N16 S32 -","16","2","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0419","0.041","","","0.0917","0.0921","","","","","","1.278","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549776","10.6434","0.0015","9.1028","0.0013","20.109","0.003","90","","102.565","0.015","90","","1901.6","0.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","compound 3ad","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.1869","0.1013","","","0.248","0.328","","","","","","1.01","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549777","16.1846","0.0006","27.2713","0.0009","7.6092","0.0003","90","","97.89","0.003","90","","3326.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 9","","- C41 H27 N O S4 -","- C41 H27 N O S4 -","- C164 H108 N4 O4 S16 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0871","0.0653","","","0.2172","0.2336","","","","","","1.086","","","","has coordinates,has disorder","228858","2020-10-21","18:00:00",""
"1549782","9.5765","0.0011","10.1909","0.0012","10.8774","0.0016","115.915","0.013","106.476","0.011","90.377","0.01","905.1","0.2","294.29","0.18","294.29","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 B N2 -","- C23 H19 B N2 -","- C46 H38 B2 N4 -","2","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.1046","0.0612","","","0.1567","0.1903","","","","","","1.0571","","","","has coordinates","228701","2020-10-21","18:00:00",""
"1549783","9.1839","0.0014","11.282","0.0014","14.148","0.003","90","","101.51","0.017","90","","1436.4","0.4","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 B F N2 -","- C17 H14 B F N2 -","- C68 H56 B4 F4 N8 -","4","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.0916","0.0502","","","0.0997","0.1224","","","","","","1.0223","","","","has coordinates","228701","2020-10-21","18:00:00",""
"1549784","13.89","0.002","14.796","0.002","16.218","0.002","96.6694","0.0014","96.2744","0.0014","112.822","0.0016","3007.7","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H22 Cl7 F20 N5 S3 -","- C59.5 H22 Cl7 F20 N5 S3 -","- C119 H44 Cl14 F40 N10 S6 -","2","1","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.0819","0.0621","","","0.1754","0.1921","","","","","","1.096","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549785","13.765","0.003","17.271","0.003","24.19","0.005","94.738","0.003","102.606","0.004","93.061","0.005","5577.9","1.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H20.5 Cl1.5 F20 N5 S3 -","- C65 H18 Cl1.5 F20 N5 S3 -","- C260 H72 Cl6 F80 N20 S12 -","4","2","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.1727","0.1121","","","0.3026","0.3578","","","","","","1.071","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549786","10.3182","0.0003","12.47104","0.00019","12.8143","0.0003","82.2874","0.0017","68.197","0.003","79.3609","0.0017","1500.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O5 U -","- C32 H33 N5 O5 U -","- C64 H66 N10 O10 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0257","0.0256","","","0.0673","0.0674","","","","","","1.148","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549787","46.746","0.005","13.2744","0.0003","24.296","0.003","90","","145.84","0.03","90","","8465","7","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Fe N10 O10 U2 -","- C64 H64 Fe N10 O10 U2 -","- C256 H256 Fe4 N40 O40 U8 -","4","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0192","0.0182","","","0.048","0.0484","","","","","","1.069","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549788","14.3842","0.0006","14.1543","0.0008","16.8027","0.0007","90","","93.045","0.004","90","","3416.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 I2 N11 O6 U2 -","- C69 H69 I2 N11 O6 U2 -","- C138 H138 I4 N22 O12 U4 -","2","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.09","0.0977","","","","","","1.079","","","","has coordinates,has disorder","228860","2020-10-21","18:00:00",""
"1549789","12.542","0.006","13.779","0.01","23.86","0.03","81.55","0.06","78.59","0.05","86.58","0.04","3996","6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H99 K2 N8 O17 U -","- C63 H99 K2 N8 O17 U -","- C126 H198 K4 N16 O34 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.1506","0.1088","","","0.2739","0.3156","","","","","","1.111","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549790","13.7743","0.0003","21.1783","0.0004","24.452","0.0005","99.7615","0.0017","95.7326","0.0016","98.8026","0.0016","6888.7","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C99 H99 Fe3 I2 N17 O10 U2 -","- C99 H99 Fe3 I2 N17 O10 U2 -","- C198 H198 Fe6 I4 N34 O20 U4 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0609","0.0558","","","0.1438","0.148","","","","","","1.036","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549791","19.5691","0.0007","13.9341","0.0003","19.6431","0.0006","90","","118.26","0.004","90","","4717.8","0.3","139.99","0.13","139.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Fe N8 O5 U -","- C50 H54 Fe N8 O5 U -","- C200 H216 Fe4 N32 O20 U4 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0355","0.0326","","","0.0858","0.0893","","","","","","1.032","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549792","15.964","0.002","23.884","0.003","20.0642","0.0009","90","","105.849","0.006","90","","7359.3","1.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 Fe I N11 O8 U2 -","- C69 H69 Fe I N11 O8 U2 -","- C276 H276 Fe4 I4 N44 O32 U8 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.0895","0.0584","","","0.1091","0.1217","","","","","","1.13","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549796","14.1097","0.0013","14.319","0.0013","14.2262","0.0013","90","","111.886","0.0014","90","","2667.1","0.4","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Mn2 N4 -","- C58 H84 Mn2 N4 -","- C116 H168 Mn4 N8 -","2","0.5","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.0648","0.0536","","","0.1381","0.1452","","","","","","1.066","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549797","12.443","0.006","13.455","0.006","22.132","0.01","90","","102.382","0.005","90","","3619","3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Mn N2 -","- C41 H58 Mn N2 -","- C164 H232 Mn4 N8 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.1106","0.0678","","","0.1721","0.2102","","","","","","1.032","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549798","42.348","0.014","11.696","0.004","18.645","0.006","90","","92.882","0.004","90","","9223","5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 F6 Fe N5 O6 S2 -","- C40 H33 F6 Fe N5 O6 S2 -","- C320 H264 F48 Fe8 N40 O48 S16 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","","0.7107","MoKα","","0.1524","0.1356","","","0.2786","0.2892","","","","","","1.189","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549799","18.9606","0.0003","18.7387","0.0003","34.1557","0.0006","90","","90","","90","","12135.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Cl6 Fe3 N11 -","- C64 H53 Cl6 Fe3 N11 -","- C512 H424 Cl48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0394","0.0328","","","0.0726","0.0758","","","","","","1.069","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549800","9.9553","0.0003","13.1814","0.0004","16.2767","0.0006","92.662","0.003","96.422","0.003","105.743","0.003","2036.29","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Fe(N2QuPy)(Br)](ClO4)","","- C33 H27 Br Cl7 Fe N5 O4 -","- C33 H27 Br Cl7 Fe N5 O4 -","- C66 H54 Br2 Cl14 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.113","0.0906","","","0.2574","0.2838","","","","","","1.06","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549801","9.68503","0.00017","9.74597","0.00018","20.3011","0.0003","92.2266","0.0014","101.563","0.0015","98.3455","0.0015","1852.88","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl8 Fe N5 O4 -","- C33 H27 Cl8 Fe N5 O4 -","- C66 H54 Cl16 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0504","0.0452","","","0.1213","0.1307","","","","","","1.034","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549802","19.0269","0.0004","18.8487","0.0004","35.2474","0.0006","90","","90","","90","","12640.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Br6 Fe3 N11 -","- C64 H53 Br6 Fe3 N11 -","- C512 H424 Br48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0703","0.076","","","","","","1.022","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549805","17.1715","0.0013","17.8894","0.0014","9.4518","0.0007","90","","101.309","0.003","90","","2847.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 F2 Sn -","- C32 H40 F2 Sn -","- C128 H160 F8 Sn4 -","4","1","","Ming, Jialin; Shi, Qi; Hayashi, Tamio","Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride.","Chemical science","2018","9","39","7700","7704","10.1039/c8sc02459f","","","0.71073","MoKα","","0.1468","0.0663","","","0.1362","0.1726","","","","","","1.014","","","","has coordinates","228702","2020-10-21","18:00:00",""
"1549806","14.0463","0.0002","17.6303","0.0003","16.8395","0.0003","90","","100.648","0.001","90","","4098.34","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C180 H136 B4 F60 Fe4 O4 -","2","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.1167","0.0814","","","0.1538","0.175","","","","","","1.133","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549807","13.8373","0.0003","14.8923","0.0003","15.4147","0.0003","63.462","0.001","80.689","0.001","88.721","0.002","2799.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0592","0.0483","","","0.1168","0.1238","","","","","","1.032","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549808","13.3556","0.0006","14.9486","0.0007","17.5414","0.0008","95.477","0.003","111.222","0.003","102.632","0.003","3126.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H25 B2 Cl4 F30 O2 -","- C69 H25 B2 Cl4 F30 O2 -","- C138 H50 B4 Cl8 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0935","0.0565","","","0.1381","0.1609","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549809","12.3256","0.0007","16.7558","0.0009","17.1303","0.0009","90.82","0.003","97.535","0.003","103.218","0.003","3410.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H29 B2 Cl6 F30 O2 -","- C72 H29 B2 Cl6 F30 O2 -","- C144 H58 B4 Cl12 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0496","0.0372","","","0.0885","0.0943","","","","","","1.052","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549810","12.6071","0.0003","13.6253","0.0004","20.3659","0.0006","90","","100.362","0.002","90","","3441.31","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H40 B2 Cl2 F30 Fe O2 -","- C71 H40 B2 Cl2 F30 Fe O2 -","- C142 H80 B4 Cl4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0681","0.0492","","","0.0911","0.0969","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549811","11.863","0.004","13.004","0.005","13.207","0.005","106.631","0.01","116.366","0.011","92.518","0.012","1714","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0519","0.0385","","","0.0886","0.0957","","","","","","1.029","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549812","13.3457","0.0003","14.575","0.0003","17.8933","0.0004","91.771","0.001","97.044","0.001","102.641","0.001","3364.49","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 B2 F30 Fe O2 -","- C68 H36 B2 F30 Fe O2 -","- C136 H72 B4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0657","0.0509","","","0.1064","0.1135","","","","","","1.022","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549813","26.8002","0.0008","12.9058","0.0004","27.8292","0.0008","90","","116.473","0.002","90","","8616.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C360 H272 B8 F120 Fe8 O8 -","4","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.1055","0.0599","","","0.1381","0.1646","","","","","","1.018","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549814","11.8064","0.0003","14.9813","0.0004","15.3306","0.0004","91.992","0.002","103.172","0.002","108.496","0.001","2487","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.095","0.0587","","","0.0948","0.1061","","","","","","1.077","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549815","13.791","0.0012","14.0959","0.0013","18.1102","0.0014","109.569","0.002","109.658","0.002","90.652","0.003","3093.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H19 B2 F30 O2 -","- C61 H19 B2 F30 O2 -","- C122 H38 B4 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.13","0.0601","","","0.1108","0.1307","","","","","","1.007","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549816","9.5809","0.0003","10.9166","0.0004","14.2783","0.0004","74.722","0.002","79.532","0.002","85.172","0.002","1415.59","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0664","0.0531","","","0.1174","0.1279","","","","","","1.053","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549817","3.7576","0.0005","14.428","0.0016","9.4611","0.0011","90","","100.599","0.012","90","","504.18","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C20 H16 N8 O2 -","2","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","","0.71073","MoKα","","0.1007","0.0715","","","0.2194","0.252","","","","","","1.078","","","","has coordinates","228771","2020-10-21","18:00:00",""
"1549818","5.772","0.0004","9.9613","0.0006","10.8529","0.0008","87.644","0.005","77.477","0.006","89.901","0.005","608.63","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N4 -","- C34 H22 N4 -","- C34 H22 N4 -","1","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.1045","0.1112","","","","","","1.002","","","","has coordinates","228771","2020-10-21","18:00:00",""
"1549820","4.2503","0.0002","10.1169","0.0004","11.3784","0.0005","81.03","0.003","88.843","0.003","82.58","0.004","479.24","0.04","296","1","296","1","","","0","0.001","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0477","0.0493","","","","","","1.036","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549821","4.0958","0.0004","9.372","0.002","10.9859","0.0013","85.224","0.016","88.977","0.009","84.909","0.016","418.56","0.11","296","1","296","1","","","2320000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0587","0.0458","","","0.1096","0.1213","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549822","3.9623","0.0005","8.824","0.003","10.6104","0.0015","87.89","0.02","88.524","0.012","87.3","0.03","370.2","0.14","296","1","296","1","","","7160000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0817","0.0703","","","0.1792","0.1855","","","","","","1.172","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549823","4.0071","0.0003","9.009","0.002","10.7254","0.0009","87.042","0.013","88.693","0.007","86.485","0.014","385.87","0.1","296","1","296","1","","","5150000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0556","0.0463","","","0.117","0.1219","","","","","","1.086","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549824","4.1474","0.0003","9.5705","0.0019","11.1208","0.0009","84.163","0.012","88.992","0.007","84.152","0.014","436.83","0.1","296","1","296","1","","","1360000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.053","0.0404","","","0.0952","0.1022","","","","","","1.063","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549825","4.0175","0.0002","9.064","0.002","10.7655","0.0008","86.743","0.012","88.765","0.006","86.231","0.012","390.48","0.09","296","1","296","1","","","4650000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0639","0.0549","","","0.1292","0.1337","","","","","","1.144","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549826","4.0406","0.0003","9.151","0.002","10.8365","0.0011","86.375","0.015","88.849","0.007","85.829","0.014","398.78","0.1","296","1","296","1","","","3820000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0667","0.0544","","","0.1111","0.1207","","","","","","1.08","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549827","3.9759","0.0007","8.862","0.003","10.6257","0.0017","87.71","0.02","88.616","0.015","87.1","0.03","373.52","0.15","296","1","296","1","","","6670000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0723","0.0603","","","0.131","0.1395","","","","","","1.162","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549828","4.1864","0.0003","9.741","0.002","11.2181","0.0011","83.217","0.013","88.956","0.007","83.522","0.013","451.36","0.11","296","1","296","1","","","720000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0804","0.0633","","","0.1363","0.1443","","","","","","1.132","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549829","3.989","0.0004","8.933","0.003","10.667","0.001","87.474","0.016","88.623","0.008","86.839","0.017","379.07","0.14","296","1","296","1","","","6000000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1435","0.1487","","","","","","1.197","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549830","4.068","0.0003","9.26","0.0018","10.911","0.001","85.828","0.012","88.899","0.007","85.395","0.013","408.56","0.09","296","1","296","1","","","3080000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0541","0.0425","","","0.1106","0.1194","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549831","3.997","0.0002","8.9646","0.0017","10.6952","0.0008","87.267","0.012","88.673","0.006","86.652","0.011","382.06","0.08","296","1","296","1","","","5630000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0571","0.0485","","","0.1064","0.1103","","","","","","1.087","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549832","4.0313","0.0003","9.11","0.002","10.8051","0.0011","86.619","0.015","88.825","0.007","86.015","0.014","395.12","0.1","296","1","296","1","","","4180000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0749","0.0592","","","0.1422","0.1507","","","","","","1.159","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549842","8.8042","0.0017","13.872","0.003","15.012","0.003","113.273","0.004","91.702","0.004","108.265","0.004","1574.4","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0908","0.068","","","0.1582","0.1702","","","","","","1.04","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549843","8.933","0.01","14.009","0.016","15.07","0.016","113.024","0.014","91.175","0.016","108.218","0.015","1627","3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1236","0.1365","","","","","","1.023","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549844","8.7198","0.0004","13.8688","0.0007","15.15","0.0008","112.076","0.001","90.143","0.001","106.456","0.001","1615.99","0.14","450","2","450","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0577","0.0495","","","0.141","0.1499","","","","","","1.049","","","","has coordinates,has disorder","228665","2020-10-21","18:00:00",""
"1549845","8.6715","0.0005","13.689","0.0008","15.1994","0.0008","112.725","0.002","90.764","0.002","106.662","0.002","1578.49","0.16","300","2","300","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.046","0.0379","","","0.0917","0.0956","","","","","","1.046","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549846","8.8606","0.0007","13.9125","0.001","14.9455","0.0011","65.422","0.002","87.897","0.002","71.56","0.002","1579.8","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0523","0.0457","","","0.1108","0.115","","","","","","1.001","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549847","8.6306","0.0004","13.5529","0.0007","15.2106","0.0008","113.16","0.001","91.252","0.001","106.863","0.001","1546.66","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0799","0.0721","","","0.1842","0.2117","","","","","","1.089","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549848","8.3737","0.0003","10.0127","0.0004","24.658","0.0008","90","","90","","90","","2067.41","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 -","- C23 H22 Br N O4 -","- C92 H88 Br4 N4 O16 -","4","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0989","0.1055","","","","","","1.044","","","","has coordinates","228696","2020-10-21","18:00:00",""
"1549849","6.25857","0.00015","10.36","0.0006","11.9013","0.0006","64.561","0.005","87.812","0.003","84.16","0.003","693.22","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","1","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0522","0.0466","","","0.1286","0.1324","","","","","","1.046","","","","has coordinates,has disorder","228696","2020-10-21","18:00:00",""
"1549850","24.8328","0.0003","24.8328","0.0003","24.8328","0.0003","90","","90","","90","","15313.6","0.3","280","2","280","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Dy-NDC","","","- C144 Dy12 O64 -","- C144 Dy12 O64 -","- C288 Dy24 O128 -","2","0.0104167","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.1623","0.1562","","","0.5328","0.545","","","","","","2.986","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549851","29.9107","0.0006","29.9107","0.0006","29.9107","0.0006","90","","90","","90","","26759.6","0.9","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Dy-ABDC","","","- C42 H24 Dy3 N6 O16 -","- C42 H24 Dy3 N6 O16 -","- C336 H192 Dy24 N48 O128 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0581","0.0529","","","0.1535","0.1606","","","","","","1.203","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549852","27.5659","0.0002","27.5659","0.0002","27.5659","0.0002","90","","90","","90","","20946.7","0.3","240","2","240","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Dy-BPDC","","","- C42 H24 Dy3 O20 -","- C42 H24 Dy3 O20 -","- C336 H192 Dy24 O160 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1854","0.1926","","","","","","1.357","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549853","10.499","0.003","20.581","0.006","8.367","0.002","90","","108.054","0.003","90","","1718.9","0.8","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C76 H60 Br4 N8 O12 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71","MoKα","","0.0796","0.0398","","","0.0688","0.0814","","","","","","1.026","","","","has coordinates","228667","2020-10-21","18:00:00",""
"1549854","18.29","0.002","10.7507","0.0014","9.233","0.0012","90","","98.659","0.002","90","","1794.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71073","MoKα","","0.1075","0.0696","","","0.2152","0.2452","","","","","","1.059","","","","has coordinates,has disorder","228667","2020-10-21","18:00:00",""
"1549859","10.2072","0.0005","22.8173","0.0011","7.0823","0.0003","90","","90.009","0.001","90","","1649.47","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0691","0.0591","","","0.1678","0.1728","","","","","","1.264","","","","has coordinates","228658","2020-10-21","18:00:00",""
"1549860","7.2306","0.0004","7.3257","0.0004","8.8664","0.0005","106.573","0.003","100.859","0.003","94.501","0.003","437.69","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N O5 -","- C9 H7 N O5 -","- C18 H14 N2 O10 -","2","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0302","0.0283","","","0.0767","0.0786","","","","","","1.055","","","","has coordinates","228658","2020-10-21","18:00:00",""
"1549861","5.0866","0.0004","7.5068","0.0005","9.0684","0.0006","76.038","0.002","85.125","0.002","72.229","0.001","319.98","0.04","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","1","0.5","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0172","0.0172","","","0.0442","0.0442","","","","","","1.16","","","","has coordinates,has disorder","228658","2020-10-21","18:00:00",""
"1549862","30.0973","0.001","30.8663","0.001","31.9583","0.001","91.509","0.01","102.049","0.01","94.109","0.01","28934","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","1","0.5","","Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves","Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic.","Chemical science","2018","9","43","8282","8290","10.1039/c8sc03124j","","","0.954","","","0.1211","0.1153","","","0.3647","0.3688","","","","","","1.524","","","","has coordinates,has disorder","228687","2020-10-21","18:00:00",""
"1549863","9.928","0.002","11.964","0.003","13.33","0.004","91.365","0.008","90.705","0.008","93.476","0.006","1579.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 Br2 -","- C42 H28 Br2 -","- C84 H56 Br4 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1287","0.0647","","","0.1562","0.1819","","","","","","1.042","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549864","9.859","0.004","13.666","0.004","14.502","0.006","91.78","0.03","96.21","0.03","110.33","0.03","1816.5","1.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H38 -","- C60 H38 -","- C120 H76 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","1.54184","CuKα","","0.2932","0.09","","","0.1676","0.2722","","","","","","0.926","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549865","9.2129","0.0016","21.272","0.004","36.423","0.006","90","","91.73","0.011","90","","7135","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.33333 H18.66667 Cl0.66667 S2 -","- C34 H18 S2 -","- C408 H216 S24 -","12","3","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1662","0.0724","","","0.1467","0.1829","","","","","","0.963","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549877","16.521","0.0005","16.521","0.0005","49.1998","0.0017","90","","90","","120","","11629.6","0.6","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H37 Cl4 N6 O1.5 -","- C44.0001 H37.0002 Cl4 N6 O1.5 -","- C528.001 H444.002 Cl48 N72 O18 -","12","0.333333","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.0544","0.0486","","","0.1341","0.1371","","","","","","1.057","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549878","5.7565","0.0005","25.735","0.002","26.34","0.002","90","","91.02","0.002","90","","3901.5","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H32 Cl6 N6 -","- C44 H32 Cl6 N6 -","- C176 H128 Cl24 N24 -","4","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.1361","0.0911","","","0.2388","0.2893","","","","","","1.06","","","","has coordinates","228703","2020-10-21","18:00:00",""
"1549879","9.9758","0.0003","14.1235","0.0003","21.6617","0.0004","98.632","0.002","94.107","0.002","107.17","0.002","2861.15","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H60 N6 O12 S3 -","- C63 H59.78 N6 O12 S3 -","- C126 H119.56 N12 O24 S6 -","2","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","1.54184","CuKα","","0.0664","0.0488","","","0.1241","0.1332","","","","","","1.047","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549882","11.2477","0.0004","15.3784","0.0005","9.6298","0.0003","90","","114.204","0.001","90","","1519.25","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M.","Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids.","Chemical science","2018","9","44","8363","8368","10.1039/c8sc03081b","","x-ray","1.54178","CuKα","","0.0368","0.035","","","0.0906","0.0925","","","","","","1.036","","","","has coordinates","228656","2020-10-21","18:00:00",""
"1549883","6.5197","0.0006","35.222","0.003","7.231","0.0007","90","","102.838","0.01","90","","1619","0.3","119.99","0.14","119.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","decaaquodisodium 4-[2-(3-pyridyl)diazenyl]-benzoate","","- C12 H18 N3 Na O7 -","- C12 H18 N3 Na O7 -","- C48 H72 N12 Na4 O28 -","4","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","x-ray","0.71073","MoKα","","0.1114","0.0911","","","0.1631","0.1714","","","","","","1.259","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549884","35.5103","0.0007","9.6091","0.0002","37.3391","0.0008","90","","103.589","0.002","90","","12384.3","0.5","100","1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,7,12-Tris-(2-(4-pyridylazo)ethoxy)-3,8,13-trimethoxy-10,15-dihydro-2H-tribenzo[a,d,g]cyclononene nitromethane clathrate","","- C65 H63 N11 O13 -","- C65 H63 N11 O13 -","- C520 H504 N88 O104 -","8","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.1127","0.0959","","","0.2991","0.3231","","","","","","1.36","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549885","6.1765","0.0004","7.0883","0.0004","17.5927","0.0006","88.175","0.004","83.629","0.005","69.716","0.006","717.98","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","octaaquodibis(4-[2-(4-pyridyl)diazenyl]-benzoate)sodium(I)","","- C12 H16 N3 Na O6 -","- C12 H16 N3 Na O6 -","- C24 H32 N6 Na2 O12 -","2","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.042","0.0342","","","0.0911","0.0973","","","","","","1.056","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549886","9.6864","0.0005","29.786","0.002","34.468","0.004","71.898","0.008","88.532","0.006","89.954","0.005","9449.1","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7,12-trimethoxy-3,8,13-tris(4,3?-pyridyl-azophenylcarboxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene","","- C60 H30 N9 O9 -","- C60 H42 N9 O9 -","- C240 H168 N36 O36 -","4","2","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","0.6889","synchrotron","","0.3324","0.2253","","","0.4559","0.4885","","","","","","1.711","","","","has coordinates,has disorder","228698","2020-10-21","18:00:00",""
"1549887","13.2806","0.0016","27.575","0.003","20.326","0.002","90","","99.632","0.005","90","","7338.7","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H58 B Br Co F24 P4 -","- C75 H58 B Br Co F24 P4 -","- C300 H232 B4 Br4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1111","0.0581","","0.1324","0.1047","0.1313","","","","","","1.0304","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549888","13.0252","0.0015","17.6478","0.0019","18.721","0.002","103.179","0.004","108.177","0.003","99.43","0.003","3850.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H67 B Co F24 P4 -","- C84 H67 B Co F24 P4 -","- C168 H134 B2 Co2 F48 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.073","0.0491","","0.1304","0.1132","0.1304","","","","","","0.9753","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549889","15.234","0.003","17.698","0.003","18.812","0.003","107.508","0.007","101.067","0.008","114.08","0.005","4117.5","1.3","100","2","99.94","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H60 B Co F24.5 P4 S -","- C79 H60 B Co F24.4997 P4 S -","- C158 H120 B2 Co2 F48.9994 P8 S2 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.177","0.0763","","","0.1773","0.237","","","","","","1.015","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549890","14.313","0.001","28.967","0.002","18.3198","0.0012","90","","104.992","0.005","90","","7336.9","0.9","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H54 B Co F24 O P3 -","- C79 H54 B Co F24 O P3 -","- C316 H216 B4 Co4 F96 O4 P12 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.54178","CuKα","","0.1972","0.0789","","","0.1765","0.2557","","","","","","0.943","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549891","15.392","0.004","16.404","0.004","17.511","0.004","72.538","0.008","72.836","0.008","86.072","0.009","4028.8","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H70 B Co F24 P3 -","- C86 H70 B Co F24 P3 -","- C172 H140 B2 Co2 F48 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1116","0.0567","","0.1703","0.124","0.169","","","","","","0.9484","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549892","12.6883","0.0009","18.4229","0.0013","18.5758","0.0012","115.784","0.0019","99.469","0.002","97.331","0.002","3758.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H65 B Co F24 N P3 -","- C80.5 H65 B Co F24 N P3 -","- C161 H130 B2 Co2 F48 N2 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1218","0.061","","0.1299","0.1113","0.1298","","","","","","0.9321","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549893","18.5988","0.0009","21.2082","0.0017","18.9102","0.0012","90","","90.121","0.002","90","","7459.1","0.8","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.75 H61.5 B Co F24.12 N P4 -","- C77.75 H61.5 B Co F24.123 N P4 -","- C311 H246 B4 Co4 F96.492 N4 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1797","0.0972","","","0.2245","0.2786","","","","","","1.044","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549894","13.183","0.003","16.54","0.003","16.808","0.003","82.81","0.006","83.316","0.007","84.81","0.007","3600.7","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 B Co F24 O P4 -","- C75 H58 B Co F24 O P4 -","- C150 H116 B2 Co2 F48 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1164","0.0786","","0.2229","0.1848","0.2222","","","","","","0.9973","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549895","11.8224","0.0006","19.1322","0.0011","33.4483","0.0015","90","","97.5642","0.0019","90","","7499.8","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 B Co F24 P4 -","- C75 H59 B Co F24 P4 -","- C300 H236 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0575","0.0525","","0.1371","0.1347","0.1371","","","","","","0.9405","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549896","14.706","0.0006","15.1357","0.0005","19.031","0.0007","71.3492","0.0013","83.8715","0.0014","80.5636","0.0015","3952.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H64 B Co F25 O P4 -","- C81 H64 B Co F25 O P4 -","- C162 H128 B2 Co2 F50 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0621","0.0508","","0.1426","0.1296","0.1426","","","","","","1.0241","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549897","16.2021","0.0005","25.658","0.0009","18.5436","0.0006","90","","90.185","0.002","90","","7708.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H64 B Co F24 P4 -","- C83 H64 B Co F24 P4 -","- C332 H256 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.5418","CuKα","","0.2019","0.1126","","0.3487","0.2676","0.3482","","","","","","0.9381","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549906","7.652","0.009","14.111","0.019","15.379","0.019","90","","90","","90","","1661","4","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aF-Me2","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0496","","","","0.1245","","","","","","0.966","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549907","15.147","0.005","15.449","0.005","16.488","0.005","82.861","0.012","80.898","0.01","78.48","0.008","3716","2","150","","150","","","","","","","","","3","P -1","-P 1","2","","11D-Me2","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","4","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0731","","","","0.1916","","","","","","1.113","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549908","13.252","0.006","5.704","0.002","42.601","0.019","90","","90","","90","","3220","2","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","7aF-Me2","","- C22 H18 N2 -","- C22 H13 N2 -","- C176 H104 N16 -","8","2","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0697","","","","0.2052","","","","","","1.026","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549909","18.8567","0.0003","20.0714","0.0004","19.2011","0.0004","90","","102.741","0.002","90","","7088.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50.5 Ce0.5 N3 O1.5 -","- C33 H50.5 Ce0.5 N3 O1.5 -","- C264 H404 Ce4 N24 O12 -","8","2","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.1309","0.0975","","","0.2069","0.2261","","","","","","1.041","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549910","14.083","0.0003","17.4883","0.0002","15.0209","0.0002","90","","99.155","0.002","90","","3652.34","0.1","120","","120","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C124 H200 Br8 Ce4 Li4 N12 O8 -","2","0.5","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0481","0.0345","","","0.0806","0.0876","","","","","","1.074","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549911","16.491","0.0003","25.6698","0.0004","18.9736","0.0004","90","","100.574","0.002","90","","7895.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H105 Ce N8 O3 S2 -","- C70 H105 Ce N8 O3 S2 -","- C280 H420 Ce4 N32 O12 S8 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0766","0.0538","","","0.1297","0.1444","","","","","","1.005","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549912","17.1931","0.0006","18.0941","0.0005","18.142","0.0005","60.078","0.003","63.808","0.003","83.013","0.003","4353.9","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C77 H93 Ce N6 O9 -","- C72 H107 Ce N6 O9 -","- C144 H214 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0687","0.0574","","","0.1397","0.147","","","","","","1.043","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549913","15.9574","0.0007","17.7857","0.0004","17.8098","0.0005","62.686","0.002","69.389","0.003","77.518","0.003","4194.6","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H99 Ce N6 O9 -","- C73 H102 Ce N6 O9 -","- C146 H204 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","1.54184","CuKα","","0.1098","0.0966","","","0.2589","0.2718","","","","","","0.95","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549914","12.6458","0.0002","24.6116","0.0004","24.4523","0.0004","90","","93.8","0.001","90","","7593.6","0.2","120.01","0.13","120.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H105 Ce N6 O3 -","- C84 H105 Ce N6 O3 -","- C336 H420 Ce4 N24 O12 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.1236","0.1419","","","","","","0.916","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549915","33.2202","0.0013","13.2404","0.0005","15.202","0.0005","90","","113.392","0.001","90","","6137","0.4","120","2","120.03","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0933","0.0438","","","0.0809","0.1038","","","","","","1.09","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549916","33.4492","0.0011","13.0989","0.0005","16.2467","0.0006","90","","112.538","0.003","90","","6574.8","0.4","280","1","280","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.1592","0.0679","","","0.0766","0.1098","","","","","","0.97","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549917","33.557","0.006","13.117","0.002","16.174","0.002","90","","112.407","0.005","90","","6581.8","1.8","280","2","280.02","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.098","0.0404","","","0.0716","0.0873","","","","","","0.996","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549918","33.219","0.003","12.9438","0.001","16.3125","0.0013","90","","111.934","0.003","90","","6506.3","0.9","120","2","119.94","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0877","0.0738","","","0.1969","0.209","","","","","","1.053","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549919","7.8612","0.0003","9.8518","0.0005","27.1605","0.0014","90","","90","","90","","2103.5","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N4 O S -","- C23 H16 N4 O S -","- C92 H64 N16 O4 S4 -","4","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0615","0.0548","","","0.1558","0.1638","","","","","","1.092","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549920","8.7916","0.0002","5.6255","0.0001","14.7562","0.0003","90","","95.407","0.002","90","","726.55","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H10 N3 S2 -","- C17 H11 N3 S2 -","- C34 H22 N6 S4 -","2","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0329","0.0311","","","0.0814","0.0834","","","","","","1.037","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549921","8.098","0.0005","10.0379","0.0007","10.4154","0.0007","116.381","0.004","111.697","0.003","92.496","0.004","682.41","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C26 H34 N6 O8 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0878","0.0516","","","0.1145","0.1328","","","","","","1.05","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549922","6.695","0.0013","10.327","0.002","13.555","0.003","107.4","0.03","92.61","0.03","102.79","0.03","865.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C38 H42 N6 O10 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0576","0.0506","","","0.1359","0.1425","","","","","","1.044","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549923","9.999","0.002","17.469","0.004","8.521","0.0017","90","","98.76","0.03","90","","1471","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0575","0.0485","","","0.1211","0.1275","","","","","","1.066","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549924","8.789","0.0018","10.706","0.002","17.342","0.004","90","","99.97","0.03","90","","1607.2","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0818","0.0552","","","0.1305","0.1465","","","","","","1.05","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549925","12.8188","0.0008","6.1493","0.0004","13.1714","0.0008","90","","99.328","0.002","90","","1024.53","0.11","150","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0534","0.0446","","","0.1121","0.1203","","","","","","1.045","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549926","11.8801","0.0013","9.9317","0.0011","20.246","0.002","90","","104.31","0.004","90","","2314.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N3 O5 -","- C24 H31 N3 O5 -","- C96 H124 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1396","0.0764","","","0.1998","0.246","","","","","","1.028","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549927","6.747","0.0014","22.937","0.005","13.927","0.003","90","","90.66","0.03","90","","2155.1","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","OMe-a","","- C20 H21 Cl3 D N3 O5 -","- C20 H21 Cl3 D N3 O5 -","- C80 H84 Cl12 D4 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.05","0.0452","","","0.1194","0.1225","","","","","","1.11","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549928","11.253","0.002","15.863","0.003","22.909","0.005","90","","99.957","0.003","90","","4027.8","1.4","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N3 O7.5 -","- C19 H28 N3 O7.5 -","- C152 H224 N24 O60 -","8","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1013","0.0732","","","0.1872","0.2083","","","","","","1.053","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549929","10.42","0.002","13.2","0.003","13.9","0.003","89.03","0.03","85.92","0.03","75.68","0.03","1847.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15.5 H20.27 Cl N3 O4.64 -","- C15.5 H21.1105 Cl N3 O4.55525 -","- C62 H84.442 Cl4 N12 O18.221 -","4","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1089","0.0935","","","0.2851","0.3019","","","","","","1.042","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549930","37.232","0.008","37.232","0.008","80.093","0.018","90","","90","","120","","96152","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 Co48 N72 O126 S48 -","- C642 H600 Cl12 Co48 N72 O126 S48 -","- C1926 H1800 Cl36 Co144 N216 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.0915","0.0735","","","0.2054","0.2227","","","","","","0.982","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549931","37.799","0.006","37.799","0.006","86.192","0.013","90","","90","","120","","106649","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 N72 Ni48 O126 S48 -","- C642 H600 Cl12 N72 Ni48 O126 S48 -","- C1926 H1800 Cl36 N216 Ni144 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.1109","0.0617","","","0.1536","0.1692","","","","","","1.03","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549932","8.596","0.0006","9.3242","0.0008","9.5215","0.0007","101.132","0.007","103.244","0.006","96.071","0.006","719.84","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Li, Shuai-Shuai; Lv, Xintong; Ren, Didi; Shao, Chang-Lun; Liu, Qing; Xiao, Jian","Redox-triggered cascade dearomative cyclizations enabled by hexafluoroisopropanol.","Chemical science","2018","9","43","8253","8259","10.1039/c8sc03339k","","","1.54184","CuKα","","0.0547","0.051","","","0.1461","0.152","","","","","","1.111","","","","has coordinates","228689","2020-10-21","18:00:00",""
"1549934","26.0567","0.0005","14.2086","0.0003","28.6868","0.0006","90","","94.091","0.002","90","","10593.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","1","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","1","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.081","0.0576","","","0.1504","0.1668","","","","","","1.013","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1549935","19.0205","0.0003","20.3813","0.0004","30.1755","0.0005","90","","90","","90","","11697.9","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","2","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","0.5","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.0634","0.054","","","0.161","0.1688","","","","","","1.072","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1549936","22.923","0.002","11.8528","0.0011","15.482","0.003","90","","127.476","0.002","90","","3338.3","0.8","100","","100","","","","","","","","see text","7","C 1 2/m 1","-C 2y","12","","","","- C20 H26 Cu F18 N8 O P3 -","- C20 H26 Cu F18.008 N8 O1.002 P3.002 -","- C80 H104 Cu4 F72.032 N32 O4.008 P12.008 -","4","0.5","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0894","0.0655","","","0.1435","0.1561","","","","","","1.036","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549937","26.95","0.002","11.628","0.0008","21.3978","0.0016","90","","90.293","0.004","90","","6705.4","0.8","106","","106","","","","","","","","see text","8","C 1 c 1","C -2yc","9","","","","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C168 H236 Cu16 F96 N68 O16 P16 S16 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0666","0.0577","","","0.1459","0.1539","","","","","","1.044","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549938","10.1257","0.0013","12.8486","0.0017","14.7435","0.0018","110.335","0.006","96.001","0.007","97.292","0.007","1761.1","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C22 H28 F18 N11 O P3 -","- C22 H28 F18 N11 O P3 -","- C44 H56 F36 N22 O2 P6 -","2","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.069","0.0446","","","0.0955","0.1063","","","","","","1.027","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549939","13.8276","0.0018","17.576","0.002","22.488","0.003","90","","97.359","0.004","90","","5420.3","1.2","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C148 H144 Cl16 Cu12 F36 N64 O44 S12 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0929","0.0839","","","0.1972","0.2023","","","","","","1.098","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549940","13.2572","0.0006","5.1221","0.0002","16.7741","0.0008","90","","97.5575","0.0019","90","","1129.15","0.09","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-fluoro-1,3-diphenyl-1,3-propanedione","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0412","0.0342","","","0.0848","0.0884","","","","","","1.153","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1549941","11.1604","0.0008","11.7655","0.0008","10.819","0.0008","90","","114.318","0.0017","90","","1294.57","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0813","0.0721","","","0.2084","0.2243","","","","","","1.105","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549942","8.5592","0.0005","12.9739","0.0008","12.3376","0.0008","90","","102.407","0.0017","90","","1338.05","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.058","","","0.1632","0.1749","","","","","","1.086","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549943","4.3647","0.0004","11.5018","0.001","12.3118","0.0011","90","","94.065","0.003","90","","616.52","0.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C30 H18 F6 O4 -","2","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0536","0.0415","","","0.093","0.0981","","","","","","1.044","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549944","6.0944","0.0008","30.676","0.004","6.881","0.0009","90","","90","","90","","1286.4","0.3","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-fluoro-1,3-bis(4-chlorophenyl)-1,3-propanedione","","- C15 H9 Cl2 F O2 -","- C15 H9 Cl2 F O2 -","- C60 H36 Cl8 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0527","0.0436","","","0.0941","0.0971","","","","","","1.213","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549945","31.944","0.002","7.0229","0.0005","6.1827","0.0005","90","","90","","90","","1387.02","0.17","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","2-fluoro-1,3-bis(4-methoxyphenyl)-1,3-propanedione","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0953","0.0994","","","","","","1.042","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1549946","28.403","0.002","6.1029","0.0004","6.9953","0.0005","90","","102.753","0.003","90","","1182.66","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C60 H36 F12 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0523","0.0415","","","0.1156","0.123","","","","","","1.054","","","","has coordinates","288478","2023-12-21","16:01:39",""
"1549953","10.9035","0.0003","11.9862","0.0004","12.6785","0.0005","90","","90","","90","","1656.97","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl Sb -","- C18 H15 Au Cl Sb -","- C72 H60 Au4 Cl4 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0679","0.0419","","","0.0637","0.0736","","","","","","0.899","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549954","12.1481","0.001","29.298","0.002","12.605","0.001","90","","94.0574","0.0015","90","","4475.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C182.4 H204 Au8 Cl8 O3.6 Sb8 -","4","2","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0998","0.0786","","","0.193","0.2134","","","","","","1.08","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549955","18.6854","0.0003","14.9411","0.0003","28.657","0.0005","90","","97.503","0.001","90","","7932","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85.25 H73.25 Au Cl6 Sb5 -","- C85.202 H73.335 Au Cl5.9335 Sb4.9335 -","- C340.808 H293.34 Au4 Cl23.734 Sb19.734 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.1416","0.0628","","","0.0928","0.1186","","","","","","1.026","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549956","16.7528","0.0008","46.762","0.002","22.2312","0.0011","90","","96.6202","0.0016","90","","17299.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C169 H142 Au13 B Cl6 Sb8 -","- C169 H142 Au13 B Cl6 Sb8 -","- C676 H568 Au52 B4 Cl24 Sb32 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0955","0.0741","","","0.1752","0.1914","","","","","","1.068","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549957","24.5859","0.0004","11.8194","0.0002","26.9019","0.0004","90","","116.277","0.001","90","","7009.6","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C77 H77 Au Cl2 Sb4 -","- C77 H77 Au Cl2 Sb4 -","- C308 H308 Au4 Cl8 Sb16 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0765","0.044","","","0.0806","0.0955","","","","","","1.047","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549958","23.2608","0.0014","10.7528","0.0006","17.423","0.001","90","","117.976","0.001","90","","3848.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 F6 N8 Ni2 O4 S2 -","- C30 H46 F6 N8 Ni2 O4 S2 -","- C120 H184 F24 N32 Ni8 O16 S8 -","4","0.5","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.0575","0.0468","","","0.1382","0.1463","","","","","","1.054","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549959","13.3985","0.0006","16.8518","0.0009","18.0347","0.0009","112.816","0.001","92.719","0.001","91.167","0.002","3745.9","0.3","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H88 F12 N12 Ni2 O5 S4 -","- C63 H88 F12 N12 Ni2 O5 S4 -","- C126 H176 F24 N24 Ni4 O10 S8 -","2","1","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.1066","0.0745","","","0.1782","0.2002","","","","","","1.028","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549960","22.1222","0.0007","15.3352","0.0005","15.7519","0.0005","90","","92.864","0.003","90","","5337.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Fe2 N4 P3 -","- C54 H74 Fe2 N4 P3 -","- C216 H296 Fe8 N16 P12 -","4","0.5","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54184","CuKα","","0.0595","0.0554","","","0.1489","0.1566","","","","","","1.04","","","","has coordinates","228844","2020-10-21","18:00:00",""
"1549961","18.0839","0.0004","18.8962","0.0003","13.6307","0.0002","90","","115.729","0.002","90","","4196.05","0.15","150","0.1","150","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","1","0.125","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54178","CuKα","","0.0828","0.0757","","","0.219","0.2278","","","","","","1.054","","","","has coordinates,has disorder","228844","2020-10-21","18:00:00",""
"1549963","11.0105","0.0003","11.0264","0.0002","15.8268","0.0003","90","","90","","90","","1921.47","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N3 O3 -","- C23 H16 Cl N3 O3 -","- C92 H64 Cl4 N12 O12 -","4","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0534","0.0424","","","0.0794","0.0839","","","","","","1.072","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1549964","5.7355","0.0001","16.4707","0.0003","10.5767","0.0002","90","","105.481","0.0009","90","","962.91","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N3 O3 -","- C23 H16 Br N3 O3 -","- C46 H32 Br2 N6 O6 -","2","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0359","0.03","","","0.0629","0.0653","","","","","","1.035","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1549967","6.8768","0.0003","15.854","0.0008","16.6138","0.0006","90","","91.265","0.004","90","","1810.87","0.14","295.5","0.5","295.5","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 -","- C22 H19 N5 -","- C88 H76 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0697","0.0617","","","0.1606","0.1738","","","","","","1.04","","","","has coordinates","228764","2020-10-21","18:00:00",""
"1549968","11.7851","0.0004","19.9797","0.0006","8.1892","0.0003","90","","97.235","0.003","90","","1912.9","0.11","297.5","0.3","297.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0679","0.0588","","","0.1624","0.1753","","","","","","1.019","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549969","8.038","0.0006","10.3402","0.0008","11.9954","0.0009","73.536","0.007","81.046","0.007","84.939","0.006","943.44","0.13","296.3","0.5","296.3","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C46 H36 N12 -","2","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0782","0.0684","","","0.1844","0.1999","","","","","","1.047","","","","has coordinates","228764","2020-10-21","18:00:00",""
"1549970","13.8657","0.0004","8.21008","0.00019","18.9838","0.0006","90","","111.052","0.003","90","","2016.85","0.11","296.5","0.6","296.5","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N5 -","- C23 H18 F3 N5 -","- C92 H72 F12 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.07","0.0657","","","0.1531","0.1593","","","","","","1.086","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549971","8.8767","0.0007","14.5893","0.0011","19.0022","0.0014","107.139","0.002","97.232","0.002","101.356","0.002","2260.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H63 Cl2 Co N5 O8 S3 -","- C38 H63 Cl2 Co N5 O8 S3 -","- C76 H126 Cl4 Co2 N10 O16 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.05","0.0478","","","0.1237","0.125","","","","","","1.061","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549972","21.1512","0.0008","9.0244","0.0004","21.2686","0.0009","90","","95.072","0.002","90","","4043.8","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0566","0.0413","","","0.0913","0.0984","","","","","","1.044","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549973","21.0944","0.0017","8.9422","0.0008","21.3506","0.0017","90","","94.977","0.002","90","","4012.2","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 N5 Ni O6 S3 -","- C37 H57 N5 Ni O6 S3 -","- C148 H228 N20 Ni4 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.1159","0.0901","","","0.2308","0.243","","","","","","1.156","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549974","8.9571","0.0007","14.5969","0.0011","18.6587","0.0014","107.64","0.001","99.252","0.001","103.157","0.001","2193.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H66 N5 Ni O8.5 S3 -","- C39 H66 N5 Ni O8.5 S3 -","- C78 H132 N10 Ni2 O17 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0306","0.0294","","","0.0783","0.0792","","","","","","1.038","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549975","21.195","0.0006","9.0313","0.0003","21.2797","0.0006","90","","94.91","0.001","90","","4058.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Fe N5 O6 S3 -","- C37 H57 Fe N5 O6 S3 -","- C148 H228 Fe4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0598","0.0432","","","0.0928","0.0977","","","","","","1.11","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549976","26.656","0.0008","9.6645","0.0003","31.5226","0.0009","90","","90.44","0.001","90","","8120.5","0.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Fe N5 O7 S3 -","- C37 H59 Fe N5 O7 S3 -","- C296 H472 Fe8 N40 O56 S24 -","8","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0549","0.0384","","","0.0851","0.0906","","","","","","1.055","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549986","9.447","0.003","10.129","0.003","6.1571","0.0018","90","","123.42","0.03","90","","491.7","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C Cs3 O8 V -","- C Cs3 O8 V -","- C2 Cs6 O16 V2 -","2","0.5","","Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min","Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response.","Chemical science","2018","9","48","8957","8961","10.1039/c8sc03672a","","","0.71073","MoKα","","0.028","0.0258","","","0.0732","0.0972","","","","","","1.258","","","","has coordinates","228765","2020-10-21","18:00:00",""
"1549995","11.9262","0.0005","37.245","0.002","9.5161","0.0005","90","","102.531","0.004","90","","4126.3","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1468","0.08","","","0.2008","0.248","","","","","","1.053","","","","has coordinates","228769","2020-10-21","18:00:00",""
"1549996","11.7855","0.0007","9.0557","0.0006","38.491","0.003","90","","97.711","0.007","90","","4070.8","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1804","0.09","","","0.2275","0.2878","","","","","","1.115","","","","has coordinates,has disorder","228769","2020-10-21","18:00:00",""
"1549997","11.8126","0.001","9.1189","0.0007","38.869","0.004","90","","98.321","0.009","90","","4142.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.2466","0.1051","","","0.2321","0.3446","","","","","","1.012","","","","has coordinates","228769","2020-10-21","18:00:00",""
"1550001","13.5287","0.0003","14.9354","0.0003","15.4422","0.0003","87.648","0.001","65.253","0.001","71.914","0.001","2679.32","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 Al F45 O3 -","- C57 Al F45 O3 -","- C114 Al2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0756","0.0437","","","0.0824","0.0924","","","","","","1.016","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550002","12.8874","0.0003","13.362","0.0004","19.1533","0.0005","81.244","0.001","86.346","0.001","65.335","0.001","2962.37","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H8 Al F46 O4 Tl -","- C61 H8 Al F46 O4 Tl -","- C122 H16 Al2 F92 O8 Tl2 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.059","0.0449","","","0.1056","0.1121","","","","","","1.035","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550003","11.872","0.0002","13.5786","0.0003","22.6501","0.0004","83.441","0.001","84.275","0.001","85.147","0.001","3599.41","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H17 Al Cl2 F46 O3 -","- C77 H17 Al Cl2 F46 O3 -","- C154 H34 Al2 Cl4 F92 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0584","0.0439","","","0.0864","0.0916","","","","","","1.096","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550004","11.6429","0.0004","11.6834","0.0004","12.0655","0.0004","97.981","0.002","101.382","0.002","98.8","0.002","1565.64","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","1","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0918","0.0539","","","0.1199","0.1377","","","","","","1.023","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550005","12.9745","0.0006","14.9114","0.0007","32.7214","0.0015","84.388","0.002","88.756","0.002","88.372","0.002","6296.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H16 Al F45 O4 -","- C68 H16 Al F45 O4 -","- C272 H64 Al4 F180 O16 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.1322","0.07","","","0.1542","0.1762","","","","","","1.046","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550006","12.473","0.0005","12.4862","0.0005","24.3363","0.0009","92.264","0.001","102.069","0.001","109.518","0.001","3468.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H18 Al F45 O4 -","- C68 H18 Al F45 O4 -","- C136 H36 Al2 F90 O8 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0398","0.031","","","0.0761","0.0842","","","","","","1.043","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550007","13.5375","0.0003","24.2062","0.0005","20.9262","0.0004","90","","104.02","0.001","90","","6653.1","0.2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H20 Al F46 Li O5 -","- C65 H20 Al F46 Li O5 -","- C260 H80 Al4 F184 Li4 O20 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0917","0.0855","","","0.1828","0.1864","","","","","","1.24","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550008","13.4499","0.0005","13.5054","0.0005","44.2327","0.0016","98.198","0.001","92.575","0.001","90.287","0.001","7944","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H32 Al Cs F46 O7 -","- C73 H32 Al Cs F46 O7 -","- C292 H128 Al4 Cs4 F184 O28 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0756","0.055","","","0.1068","0.114","","","","","","1.08","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550009","13.2289","0.0003","14.1466","0.0003","17.4224","0.0004","86.299","0.001","85.794","0.001","67.503","0.001","3001.9","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H11 Al F45 N O3 -","- C66 H11 Al F45 N O3 -","- C132 H22 Al2 F90 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0482","0.0345","","","0.0803","0.0864","","","","","","1.037","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550010","24.8884","0.0012","23.4948","0.0012","22.4273","0.001","90","","105.82","0.002","90","","12617.6","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H15 Al F45 O4 P -","- C63 H15 Al F45 O4 P -","- C504 H120 Al8 F360 O32 P8 -","8","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.1133","0.0975","","","0.2325","0.2412","","","","","","1.128","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550011","13.8546","0.0004","14.2421","0.0004","20.1247","0.0006","94.513","0.001","96.029","0.001","119.026","0.001","3414.42","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H15 Al Cl F45 O3 -","- C76 H15 Al Cl F45 O3 -","- C152 H30 Al2 Cl2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0638","0.0388","","","0.0758","0.0836","","","","","","1.014","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550012","13.3297","0.0005","14.3059","0.0004","22.5568","0.0008","71.867","0.001","75.445","0.001","63.622","0.001","3629.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H36 Al F46 N O3 -","- C73 H36 Al F46 N O3 -","- C146 H72 Al2 F92 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0559","0.0389","","","0.0839","0.0906","","","","","","1.054","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550013","11.7732","0.0003","24.2075","0.0007","21.9598","0.0006","90","","90.568","0.001","90","","6258.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H13 Ag Al F46 N O4 -","- C63 H13 Ag Al F46 N O4 -","- C252 H52 Ag4 Al4 F184 N4 O16 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0357","0.0297","","","0.0682","0.0709","","","","","","1.101","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550014","22.4236","0.001","24.0454","0.0011","29.527","0.0014","91.684","0.002","111.56","0.002","98.389","0.002","14588.4","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H5 Al F45 N O3 -","- C62 H5 Al F45 N O3 -","- C620 H50 Al10 F450 N10 O30 -","10","5","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0983","0.0614","","","0.1222","0.1449","","","","","","1.099","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550018","9.2681","0.0005","10.4733","0.0005","10.8722","0.0005","82.9875","0.0015","85.2833","0.0017","74.7986","0.0016","1009.4","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","XC7","","","- C23 H24 Cl F Ir N -","- C23 H24 Cl F Ir N -","- C46 H48 Cl2 F2 Ir2 N2 -","2","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Ir(iii)-catalyzed <i>ortho</i> C-H alkylations of (hetero)aromatic aldehydes using alkyl boron reagents.","Chemical science","2018","9","48","8951","8956","10.1039/c8sc03606c","","","0.71073","MoKα","","0.0251","0.0217","","","0.0474","0.0483","","","","","","1.089","","","","has coordinates","228770","2020-10-21","18:00:00",""
"1550047","15.2173","0.0004","22.8792","0.0006","16.8807","0.0005","90","","90.605","0.001","90","","5876.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B Dy F20 -","- C64 H70 B Dy F20 -","- C256 H280 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0732","0.065","","","0.17","0.1759","","","","","","1.06","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550048","14.9801","0.0004","23.0586","0.0007","16.7069","0.0005","90","","90.789","0.002","90","","5770.4","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B Dy F20 -","- C62 H66 B Dy F20 -","- C248 H264 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0854","0.0682","","","0.1588","0.171","","","","","","1.054","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550049","16.5863","0.0017","14.4989","0.0015","22.708","0.002","90","","90.0586","0.0016","90","","5460.9","0.9","100","2","99.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C232 H232 B4 Dy4 F80 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0756","0.0721","","","0.181","0.1851","","","","","","1.069","","","","has coordinates","228845","2020-10-21","18:00:00",""
"1550050","14.5","0.02","16.63","0.03","46.59","0.08","90","","90.027","0.012","90","","11234","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B Dy F20 -","- C60 H62 B Dy F20 -","- C480 H496 B8 Dy8 F160 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0761","0.057","","","0.1354","0.1497","","","","","","1.035","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550065","10.4966","0.0005","12.3975","0.0008","13.2265","0.001","104.289","0.006","99.208","0.005","101.826","0.005","1591.78","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1048","0.0734","","","0.182","0.2053","","","","","","1.024","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550066","10.3106","0.0002","14.6582","0.0003","27.9536","0.0004","75.075","0.002","86.248","0.002","70.983","0.002","3858.64","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0738","0.0645","","","0.1512","0.1555","","","","","","1.153","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550067","10.741","0.0011","11.0043","0.0011","15.1711","0.0014","69.405","0.009","70.878","0.009","76.429","0.009","1571.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.1126","0.0738","","","0.194","0.2183","","","","","","1.034","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550068","16.25392","0.00013","38.80173","0.00018","16.36512","0.00011","90","","119.106","0.001","90","","9017.85","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C87 H127 Co Gd N4 O9 P3 Si2 -","- C87.0084 H127.021 Co Gd N4 O9.0063 P3.0021 Si2 -","- C348.034 H508.084 Co4 Gd4 N16 O36.0252 P12.0084 Si8 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0191","0.0191","","","0.0477","0.0477","","","","","","1.086","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550069","18.266","0.0003","14.9061","0.0002","33.9132","0.0005","90","","104.455","0.001","90","","8941.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H127 Co N4 O9 P3 Si2 Y -","- C87 H127 Co N4 O9 P3 Si2 Y -","- C348 H508 Co4 N16 O36 P12 Si8 Y4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","1.54184","CuKα","K-L~3~","0.0438","0.0401","","","0.105","0.1075","","","","","","1.061","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550070","8.05199","0.00012","13.9466","0.0002","31.93","0.0005","90","","90.63","0.0013","90","","3585.45","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H108 N4 O4 Si2 Zn -","- C74 H108 N4 O4 Si2 Zn -","- C148 H216 N8 O8 Si4 Zn2 -","2","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.0629","0.0575","","","0.1669","0.171","","","","","","1.092","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550071","19.34446","0.00016","39.8242","0.0004","20.5371","0.0002","90","","90.4603","0.0009","90","","15820.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H107 Co Dy N4 O9 P3 Si -","- C78 H107 Co Dy N4 O9 P3 Si -","- C624 H856 Co8 Dy8 N32 O72 P24 Si8 -","8","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.083","0.0588","","","0.1289","0.1387","","","","","","1.082","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550072","13.171","0.0004","14.3764","0.0004","19.9456","0.0006","90.736","0.002","91.97","0.002","108.933","0.003","3569.14","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H96 Cl N7 Si2 Zn -","- C77.5 H96 Cl N7 Si2 Zn -","- C155 H192 Cl2 N14 Si4 Zn2 -","2","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1224","0.0814","","","0.1989","0.2218","","","","","","1.035","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550073","10.3082","0.0001","14.6723","0.0002","27.9524","0.0005","75.061","0.001","86.208","0.001","71.139","0.001","3864.76","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0659","0.0625","","","0.1302","0.1316","","","","","","1.278","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550074","10.2534","0.00018","14.6267","0.0003","27.8407","0.0005","75.0624","0.0016","86.2571","0.0015","71.1737","0.0016","3817.71","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","K-L~3~","0.0575","0.0499","","","0.1096","0.1126","","","","","","1.102","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550075","16.1487","0.0003","19.0993","0.0003","30.5159","0.0005","98.382","0.001","92.063","0.001","97.559","0.001","9215.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C348 H508 Co4 Dy4 N16 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0626","0.053","","","0.1236","0.1267","","","","","","1.09","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550076","31.5498","0.0004","16.095","0.0001","19.4714","0.0002","90","","107.306","0.001","90","","9439.85","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C88.5 H130 Cl3 Co N4 O9 P3 Si2 Tb -","- C87 H127 Co N4 O9 P3 Si2 Tb -","- C348 H508 Co4 N16 O36 P12 Si8 Tb4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1022","0.0872","","","0.2518","0.2681","","","","","","1.048","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550077","16.1981","0.0003","23.3852","0.0004","25.473","0.0005","73.821","0.002","89.254","0.002","86.965","0.001","9253.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C356 H500 Co4 Dy4 N24 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.102","0.0782","","","0.1694","0.1815","","","","","","1.117","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550083","13.7826","0.0005","9.2243","0.0002","15.0346","0.0005","90","","111.733","0.004","90","","1775.56","0.11","270","2","270","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0672","0.0467","","","0.1117","0.1245","","","","","","1.046","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550084","13.8567","0.0006","9.2431","0.0002","15.1049","0.0006","90","","111.846","0.005","90","","1795.69","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0744","0.0477","","","0.1147","0.1298","","","","","","1.05","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550085","13.9193","0.0008","9.2488","0.0003","15.1658","0.0007","90","","111.938","0.006","90","","1811.02","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0878","0.0493","","","0.1158","0.1374","","","","","","1.021","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550086","13.5882","0.0007","9.2068","0.0005","14.8687","0.0008","90","","111.294","0.0018","90","","1733.14","0.16","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0487","0.0408","","","0.1017","0.107","","","","","","1.044","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550087","9.824","0.0005","6.304","0.0004","25.0331","0.0018","90","","90.602","0.005","90","","1550.23","0.17","370","2","370","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.1028","0.0489","","","0.1088","0.1382","","","","","","1.012","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550088","18.848","0.0007","7.4991","0.0003","12.2152","0.0005","90","","107.691","0.0015","90","","1644.89","0.11","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-anisyl)-1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0995","0.1068","","","","","","1.051","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550089","9.7695","0.0008","6.177","0.0005","24.65","0.002","90","","90.36","0.007","90","","1487.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0977","0.0541","","","0.0941","0.1154","","","","","","1.043","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550090","9.7901","0.0006","6.2016","0.0004","24.0401","0.0014","90","","92.931","0.002","90","","1457.67","0.16","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)9-(4-Fluorophenyl)-1-phenyltricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0863","0.0462","","","0.091","0.1034","","","","","","1.031","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550091","9.8084","0.0003","6.2441","0.0002","24.8702","0.0009","90","","90.457","0.003","90","","1523.12","0.09","270","2","270","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0674","0.0428","","","0.097","0.111","","","","","","1.017","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550092","9.9209","0.0004","9.9803","0.0004","11.1024","0.0004","90","","90","","90","","1099.29","0.07","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0436","0.0345","","","0.079","0.0824","","","","","","1.048","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550093","16.0612","0.0011","7.15","0.0005","14.5266","0.001","90","","98.455","0.003","90","","1650.1","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-Fluorophenyl)-1-(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0848","0.0494","","","0.1005","0.1136","","","","","","1.022","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550094","9.8199","0.0003","6.2643","0.0002","24.9393","0.0008","90","","90.51","0.003","90","","1534.08","0.08","320","2","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0767","0.0461","","","0.101","0.1174","","","","","","1.023","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550170","23.729","0.003","22.495","0.003","36.442","0.005","90","","90.573","0.004","90","","19451","4","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C680 H716 B8 Cu16 F196 Zn40 -","8","2","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.1143","0.0663","","","0.1475","0.1685","","","","","","1.024","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550171","16.1793","0.0014","37.93","0.003","17.4798","0.0015","90","","105.636","0.003","90","","10330","1.5","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C50 H75 Cu3 Zn4 -","- C50 H75 Cu3 Zn4 -","- C400 H600 Cu24 Zn32 -","8","4","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.047","0.0408","","","0.0958","0.0993","","","","","","1.061","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550250","19.45","0.002","33.881","0.004","34.509","0.004","90","","103.592","0.005","90","","22104","4","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","C3 cyclo-tris-[5]helicene","","- C252 H264 O48 -","- C234 H228 O48 -","- C936 H912 O192 -","4","1","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1603","0.1449","","","0.3497","0.3592","","","","","","1.136","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1550251","15.6031","0.0009","23.6859","0.0013","26.9809","0.0015","84.266","0.002","75.642","0.003","75.481","0.003","9343.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C104.5 H86.5 Cl7.5 O24 -","- C104 H86 Cl6 O24 -","- C416 H344 Cl24 O96 -","4","2","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1392","0.1155","","","0.2976","0.3148","","","","","","1.07","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1552893","9","0.0018","19.58","0.004","23.93","0.005","77.99","0.03","83.67","0.03","89.86","0.03","4098.6","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4CzIPN","(4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","2","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","","0.71073","MoKα","","0.1691","0.072","","","0.1603","0.2145","","","","","","0.946","","","","has coordinates","227758","2020-10-21","18:00:00",""
"1552894","18.6689","0.0004","18.6689","","18.6689","","90","","90","","90","","6506.63","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Cr4 N32 O0.94 -","- C24 H8 Cl Cr4 N32 O0.94 -","- C72 H24 Cl3 Cr12 N96 O2.82 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.03682","","1.03","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552895","18.51977","0.00035","18.51977","","18.51977","","90","","90","","90","","6351.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl1.77 Cu5.54 N32 O0.7 -","- C24 H8 Cl1.768 Cu5.536 N32 O0.696 -","- C72 H24 Cl5.304 Cu16.608 N96 O2.088 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03802","","0.99","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552896","18.6867","0.0005","18.6867","","18.6867","","90","","90","","90","","6525.26","0.17","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.22 H8 Cl Cr4 N32 O5.38 -","- C26.216 H8 Cl Cr4 N32 O5.3772 -","- C78.648 H24 Cl3 Cr12 N96 O16.1316 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.06629","","1.16","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552897","18.90048","0.00032","18.90048","","18.90048","","90","","90","","90","","6751.78","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C29.23 H15.77 Cl Fe4.36 N32 O7.88 -","- C29.2368 H15.7664 Cl Fe4.3586 N32 O7.8824 -","- C87.7104 H47.2992 Cl3 Fe13.0758 N96 O23.6472 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05084","","1.12","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552898","18.8957","0.0004","18.8957","","18.8957","","90","","90","","90","","6746.66","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.59 H15.77 Cl Fe4.36 N32 O2.59 -","- C26.592 H15.776 Cl Fe4.358 N32 O2.588 -","- C79.776 H47.328 Cl3 Fe13.074 N96 O7.764 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05216","","1.08","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552899","18.80041","0.00011","18.80041","","18.80041","","90","","90","","90","","6645.11","0.04","100","","100","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C28.51 Cl Fe5.24 N32 O4.74 -","- C28.5088 Cl Fe5.245 N32 O4.7362 -","- C85.5264 Cl3 Fe15.735 N96 O14.2086 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","x-ray","0.61072","","","","","","","","","0.05319","","3.2","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552900","18.52951","0.00033","18.52951","","18.52951","","90","","90","","90","","6361.97","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.13 H8 Cl1.77 Cu5.54 N32 O4.96 -","- C26.128 H8 Cl1.76796 Cu5.53592 N32 O4.95512 -","- C78.384 H24 Cl5.30388 Cu16.6078 N96 O14.8654 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03713","","1.01","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552901","18.8952","0.0004","18.8952","","18.8952","","90","","90","","90","","6746.13","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C33.47 H15.77 Cl Fe4.36 N32 O16.34 -","- C33.4594 H15.7664 Cl Fe4.3586 N32 O16.2496 -","- C100.378 H47.2992 Cl3 Fe13.0758 N96 O48.7487 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.06561","","1.26","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552902","18.5323","0.0004","18.5323","","18.5323","","90","","90","","90","","6364.85","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C30.7 H8 Cl1.77 Cu5.54 N32 O14.09 -","- C30.6968 H8 Cl1.76796 Cu5.53592 N32 O14.0899 -","- C92.0904 H24 Cl5.30388 Cu16.6078 N96 O42.2698 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.05263","","1.05","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552903","18.7761","0.0006","18.7761","","18.7761","","90","","90","","90","","6619.4","0.2","30","","30","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C25.75 H8 Cl Cr4 N32 O4.45 -","- C25.744 H8 Cl Cr4 N32 O4.368 -","- C77.232 H24 Cl3 Cr12 N96 O13.104 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.37039","","","","","","","","","0.05807","","2.13","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552904","18.68163","0.00034","18.68163","","18.68163","","90","","90","","90","","6519.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C31.66 H8 Cl Cr4 N32 O16.26 -","- C31.652 H8 Cl Cr4 N32 O16.2432 -","- C94.956 H24 Cl3 Cr12 N96 O48.7296 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.05488","","1.18","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552905","12.5636","0.0018","13.3254","0.0019","17.435","0.003","83.702","0.005","82.251","0.005","72.027","0.005","2743.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H85 K N2 Ni O7 S -","- C54 H69 K N2 Ni O7 S -","- C108 H138 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1355","0.073","","","0.1674","0.1962","","","","","","1.004","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552906","12.8138","0.0016","13.34","0.0017","20.566","0.003","80.905","0.004","87.457","0.004","62.801","0.004","3085.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H93 K N2 Ni O6 S2 -","- C61 H77 K N2 Ni O6 S2 -","- C122 H154 K2 N4 Ni2 O12 S4 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0992","0.0635","","","0.1444","0.1642","","","","","","1.012","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552907","20.875","0.006","11.044","0.003","26.136","0.008","90","","101.289","0.007","90","","5909","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H89 K N2 Ni O8 -","- C60 H89 K N2 Ni O8 -","- C240 H356 K4 N8 Ni4 O32 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1961","0.1112","","","0.2693","0.3112","","","","","","1.07","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552908","24.849","0.0019","17.4488","0.0012","27.016","0.002","90","","115.268","0.003","90","","10593","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H166 K2 N4 Ni2 O18 -","- C101 H148 K2 N4 Ni2 O18 -","- C404 H592 K8 N16 Ni8 O72 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1954","0.0905","","","0.2063","0.2638","","","","","","1.032","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552909","38.446","0.004","18.5998","0.0016","18.9696","0.0016","90","","112.48","0.002","90","","12534","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H105 K N2 Ni O8 S2 -","- C59 H77 K N2 Ni O8 S2 -","- C472 H616 K8 N16 Ni8 O64 S16 -","8","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1641","0.0865","","","0.2195","0.2693","","","","","","1.029","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552910","12.5942","0.001","20.265","0.002","22.942","0.002","90","","92.03","0.005","90","","5851.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C117 H178 K2 N4 Ni2 O16 S2 -","- C117 H170 K2 N4 Ni2 O16 S2 -","- C234 H340 K4 N8 Ni4 O32 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1181","0.0582","","","0.1176","0.1413","","","","","","1.009","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552911","5.66599","0.00006","8.61364","0.0001","31.0135","0.0003","90","","90","","90","","1513.61","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 F3 N O3 S -","- C17 H10 F3 N O3 S -","- C68 H40 F12 N4 O12 S4 -","4","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","1.54187","CuKα","","0.0479","0.0479","","","0.1124","0.1124","","","","","","0.962","","","","has coordinates","227762","2020-10-21","18:00:00",""
"1552912","27.336","0.002","11.5772","0.001","19.4333","0.0017","90","","106.049","0.001","90","","5910.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H70 B F20 Y -","- C64 H70 B F20 Y -","- C256 H280 B4 F80 Y4 -","4","0.5","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0685","0.047","","","0.1119","0.1255","","","","","","1.032","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552913","15.0163","0.0005","23.1163","0.0008","16.7813","0.0006","90","","90.902","0.001","90","","5824.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B F20 Y -","- C62 H66 B F20 Y -","- C248 H264 B4 F80 Y4 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0795","0.0638","","","0.1591","0.1719","","","","","","1.053","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552914","16.538","0.002","14.4952","0.0018","22.753","0.003","90","","90.053","0.002","90","","5454.4","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B F20 Y -","- C58 H58 B F20 Y -","- C232 H232 B4 F80 Y4 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.1146","0.0821","","","0.216","0.2386","","","","","","1.123","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552915","14.599","0.01","16.737","0.011","47.12","0.03","90","","90.253","0.011","90","","11513","13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B F20 Y -","- C60 H62 B F20 Y -","- C480 H496 B8 F160 Y8 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0909","0.0769","","","0.1922","0.2027","","","","","","1.046","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1553981","29.8513","0.0007","27.0724","0.0007","28.996","0.0006","90","","90","","90","","23433","1","93","0.3","93","0.3","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0552","0.0418","","","0.0968","0.1033","","","","","","1.014","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553982","30.1004","0.0007","27.2979","0.0007","29.2079","0.0006","90","","90","","90","","23999.5","1","292.99","0.11","292.99","0.11","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.087","0.0536","","","0.1024","0.1154","","","","","","1.017","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553983","30.1847","0.0007","27.3736","0.0007","29.2444","0.0006","90","","90","","90","","24163.6","1","273","0.12","273","0.12","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0668","0.0427","","","0.085","0.0928","","","","","","1.019","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553984","29.9954","0.001","27.188","0.0009","29.1016","0.0007","90","","90","","90","","23732.8","1.3","183.01","0.1","183.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0879","0.0942","","","","","","1.024","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553985","30.1665","0.0011","27.3016","0.001","29.212","0.0008","90","","90","","90","","24058.8","1.4","243.01","0.1","243.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0601","0.0396","","","0.0837","0.0911","","","","","","0.975","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553986","19.878","0.002","19.878","0.002","27.361","0.003","90","","90","","120","","9362.8","1.7","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C150 H132 Au13 Cl5 P12 -","- C150 H132 Au13 Cl5 P12 -","- C300 H264 Au26 Cl10 P24 -","2","0.166667","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.084","0.0406","","","0.0815","0.0943","","","","","","0.97","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553987","27.105","0.006","29.82","0.007","28.748","0.006","90","","90","","90","","23236","9","173.15","","173.15","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.1037","0.0542","","","0.1279","0.1549","","","","","","1.038","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553988","17.4438","0.0003","19.0667","0.0004","24.5099","0.0004","86.385","0.001","84.399","0.001","84.413","0.001","8062.6","0.3","93","0.1","93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H138 Au13 Cl F24 P16 -","- C156 H138 Au13 Cl F24 P16 -","- C312 H276 Au26 Cl2 F48 P32 -","2","1","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0694","0.046","","","0.0988","0.1087","","","","","","1.023","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1554588","11.9355","0.0004","12.1743","0.0004","15.3187","0.0004","112.686","0.003","97.711","0.002","98.63","0.003","1984.93","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H59 Cl N2 P2 Zr -","- C40 H59 Cl N2 P2 Zr -","- C80 H118 Cl2 N4 P4 Zr2 -","2","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0572","0.036","","","0.0653","0.0684","","","","","","0.924","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554589","12.10234","0.00018","13.69809","0.00019","31.6606","0.0004","90","","91.0656","0.0014","90","","5247.75","0.13","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 Cl N3 P2 Zr -","- C52 H78 Cl N3 P2 Zr -","- C208 H312 Cl4 N12 P8 Zr4 -","4","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","1.54184","CuKα","","0.0645","0.0505","","","0.1104","0.1153","","","","","","1.165","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554590","37.6269","0.0007","12.5284","0.0003","22.9308","0.0004","90","","99.4621","0.0019","90","","10662.6","0.4","120","1","120","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H82 Cl N5 O P2 Zr -","- C52 H82 Cl N5 O P2 Zr -","- C416 H656 Cl8 N40 O8 P16 Zr8 -","8","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.094","0.0539","","","0.0987","0.1124","","","","","","1.04","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554591","12.6621","0.0002","18.1002","0.0003","23.9357","0.0003","100.866","0.0012","95.4948","0.0013","103.491","0.0014","5182.35","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80 Cl N3 P2 Zr -","- C52 H68 Cl N3 P2 Zr -","- C208 H272 Cl4 N12 P8 Zr4 -","4","2","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0787","0.0497","","","0.1091","0.1213","","","","","","1.037","","","","has coordinates,has disorder","237393","2020-10-21","18:00:00",""